JME 2016-11-13 Tue Jun 06 11:17:21 GMT+300 2017 26 26 0 0 0 0 0 0 0 0999 V2000 7.9747 3.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 6.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.5248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 3.3124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 4.5248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 7.3248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1747 6.1124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 7.3248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 4.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 M END > 1,4-Bis(2-hydroxyhexafluoroisopropyl)benzene > α,α,α'α'-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol; 1,4-Bis-(α-hydroxyperfluoroisopropyl)benzol; 1,4-Bis(hexafluoro-2-hydroxyisopropyl)benzene > 65 > 100g - 608 > 6470 > 0 > 1992-15-0 > C12H6F12O2 > 410.16 > 97% > 83-85 > 207-208 > > > $$$$ JME 2016-11-13 Tue Jun 06 11:14:46 GMT+300 2017 52 52 0 0 0 0 0 0 0 0999 V2000 4.8498 3.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 3.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 5.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 7.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 5.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 7.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 8.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 7.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 6.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 8.5120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.7244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 9.7244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 3.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 1.8872 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 4.3120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6498 3.0996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.9996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.9996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.2996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.3996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.6996 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.7133 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7133 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2885 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2885 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1009 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7133 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2885 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 11.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 7.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 9.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.3009 8.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1009 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 1.5876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 4.0124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.3009 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2885 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.7133 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 27 2 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 0 0 0 0 34 41 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 35 45 1 0 0 0 0 35 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 36 50 1 0 0 0 0 36 51 1 0 0 0 0 36 52 1 0 0 0 0 M END > 1,3(1,4)-Bis(2-hydroxyhexafluoroisopropyl)benzene, 85%(15%) > α,α,α',α'-Tetrakis(trifluoromethyl)-1,3(1,4)-benzenedimethanol; 1,3(1,4)-Bis-(α-hydroxyperfluoroisopropyl)benzol; 1,3(1,4)-Bis(hexafluoro-2-hydroxyisopropyl)benzene > 63 > 1kg - 995 > 0 > 0 > 1,3-isomer 802-93-7;1,4-isomer 1992-15-0 > C12H6F12O2 > 410.16 > 85% (15%) > > 99-100/20mm Hg > > > $$$$ JME 2016-11-13 Tue Jun 06 11:12:28 GMT+300 2017 26 26 0 0 0 0 0 0 0 0999 V2000 4.8498 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 8.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 5.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 8.2124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 9.4248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 9.4248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 1.5876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 4.0124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6498 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 9.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END > 1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene > α,α,α'α'-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol; 1,3-Bis-(α-hydroxyperfluoroisopropyl)benzol; 1,3-Bis(hexafluoro-2-hydroxyisopropyl)benzene > 64 > 1kg - 1322 > 270 > 50 > 802-93-7 > C12H6F12O2 > 410.16 > 97% > 9-10 > 205-208 > 97 > 1,659 > 1,386-1,389 $$$$ JME 2016-11-13 Tue Jun 06 11:19:51 GMT+300 2017 32 33 0 0 0 0 0 0 0 0999 V2000 6.0622 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 3.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9121 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6121 5.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2121 8.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.5248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 3.3124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 4.5248 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3369 7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 9.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3369 8.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9121 4.5752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.0121 5.7876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3121 4.5752 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M END > 4,4'-Bis(2-hydroxyhexafluoroisopropyl)biphenyl > 2,2'-(Biphenyl-4,4'-diyl)bis(1,1,1,3,3,3-hexafluoropropan-2-ol) > 66 > 100g - 720 > 200 > 0 > 2180-30-5 > C18H10F12O2 > 486.26 > 97% > 125-126 > > > > $$$$ JME 2016-11-13 Tue Jun 13 15:17:58 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 6.0622 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 11 12 1 0 0 0 0 M END > 1,4-Bis(hydroxymethyl)-2,3,5,6-tetrafluorobenzene > 2,3,5,6-Tetrafluoroxylene diol; 2,3,5,6-Tetrafluoro-1,4-benzenedimethanol > 1189 > 100g - 727 > 0 > 0 > 92339-07-6 > C8H6F4O2 > 210.13 > 97% > 126-127 > > > > $$$$ OpenBabel07111612392D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.7321 -2.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 1.6340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 4.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > 2-[4-(Bromomethyl)phenyl]hexafluoropropan-2-ol > 4-Bromomethyl-(2-hydroxyhexafluoroisopropyl)benzene; 4-(2-Hydroxyhexafluoroisopropyl)benzyl bromide > 1676 > 100g - 743 > 80 > 0 > 202134-57-4 > C10H7BrF6O > 337.06 > 97% > > 220 > > > $$$$ JME 2016-11-13 Tue Jun 06 12:07:26 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 4.8498 4.1999 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 M END > 4-Bromotetrafluorophenol > 4-Bromo-2,3,5,6-tetrafluorophenol > 164 > 100g - 723 > 680 > 0 > 1998-61-4 > C6HBrF4O > 244.97 > 97% > 38-39 > 76-77/4 mm Hg > > > $$$$ OpenBabel07111612392D 18 19 0 0 0 0 0 0 0 0999 V2000 0.8660 -3.2321 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 M END > 2-Chloro-2,2-difluoro-1,1-diphenylethanol > > 1971 > 100g - 1240 > 860 > 0 > 6312-18-1 > C14H11ClF2O > 268.69 > 97% > 77-79 > > > > $$$$ JME 2016-11-13 Tue Jun 06 12:40:07 GMT+300 2017 17 17 0 0 0 0 0 0 0 0999 V2000 6.9499 5.2249 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 4.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7374 3.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 3.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 4.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 5.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8876 1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 M END > 2-(4-Chlorophenyl)hexafluoropropan-2-ol > 4-Chloro-(2-hydroxyhexafluoroisopropyl)benzene > 211 > 100g - 651 > 0 > 0 > 2010-63-1 > C9H5ClF6O > 278.58 > 97% > > 189-191 > > > $$$$ JME 2016-11-13 Tue Jun 06 12:54:33 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 4.8498 4.1999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 M END > 4-Chlorotetrafluorophenol > 4-Chloro-2,3,5,6-tetrafluorophenol > 247 > 100g - 793 > 0 > 0 > 4232-66-0 > C6HClF4O > 200.52 > 97% > 37-38 > 176-178 > > > 1,4758 $$$$ JME 2017-02-26 Tue Jul 11 11:40:53 GMT+300 2017 15 15 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 4.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 4 13 1 0 0 0 0 4 9 2 0 0 0 0 11 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > 4-(2-Chloro-1,1,2-trifluoroethoxy)-2-methylphenol > > 1451 > 100g - 758 > 0 > 0 > 129670-05-9 > C9H8ClF3O2 > 240.61 > 97% > > 83-84/0,3 mm Hg > > > $$$$ JME 2017-02-26 Thu Jul 13 12:58:17 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 4.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 4 13 1 0 0 0 0 4 9 2 0 0 0 0 11 14 1 0 0 0 0 M END > 4-(2-Chloro-1,1,2-trifluoroethoxy)phenol > > 1452 > 100g - 698 > 0 > 0 > 88553-89-3 > C8H6ClF3O2 > 226.58 > 97% > 43-44 > > > > $$$$ JME 2016-11-13 Tue Jun 06 13:18:49 GMT+300 2017 24 25 0 0 0 0 0 0 0 0999 V2000 4.6720 1.4435 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 3.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 3.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 5.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 3.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6039 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6039 3.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 5.6772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8331 4.2578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8331 1.4193 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 1.3723 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 5.6772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4193 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 M END > Decafluorobenzhydrol > Bis(pentafluorophenyl)methanol > 270 > 100g - 984 > 100 > 0 > 1766-76-3 > C13H2F10O > 364.14 > 97% > 79-80 > 147/12 mm Hg > > > $$$$ JME 2016-11-13 Tue Jun 06 14:27:12 GMT+300 2017 11 11 0 0 0 0 0 0 0 0999 V2000 4.8498 4.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 M END > 2,6-Dichloro-3,5-difluorophenol > > 295 > 100g- 664; 250g - 929 > 173 > 0 > 63418-08-6 > C6H2Cl2F2O > 198.98 > 97% > 50 > 107/3 mm Hg > > > 1,531 $$$$ OpenBabel07111612392D 22 23 0 0 0 0 0 0 0 0999 V2000 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 M END > 4,4'-Di(hydroxy)octafluorobiphenyl > Octafluoro-4,4'-biphenol > 1874 > 250g - 2138; 500g - 2994 > 0 > 0 > 2200-70-6 > C12H2F8O2 > 330.13 > 97% > 210-215 > > > > $$$$ JME 2016-11-13 Tue Jun 13 12:36:46 GMT+300 2017 23 23 0 0 0 0 0 0 0 0999 V2000 6.8355 0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 7.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 M END > 4,4'-Di(hydroxy)octafluorobiphenyl hydrate > Octafluoro-4,4'-biphenol monohydrate > 339 > 100g - 710 > 460 > 0 > 205926-99-4 component 2200-70-6 > C12H2F8O2.H2O > 348.15 > 97% > 209-211 > > > > $$$$ JME 2016-11-13 Tue Jun 06 15:10:07 GMT+300 2017 17 17 0 0 0 0 0 0 0 0999 V2000 3.6373 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > 2,6-Dinitro-4-(trifluoromethyl)phenol > 3,5-Dinitro-4-hydroxybenzotrifluoride > 358 > 250g - 693 > 305 > 0 > 393-77-1 > C7H3F3N2O5 > 252.11 > 95% > 47-48 > > > > $$$$ JME 2016-11-13 Tue Jun 13 15:41:40 GMT+300 2017 8 8 0 0 0 0 0 0 0 0999 V2000 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 M END > 4-Fluorophenol > > 1201 > 100g - 260 > 90 > 0 > 371-41-5 > C6H5FO > 112.1 > 97% > 48-51 > 185 > > > $$$$ JME 2016-11-13 Wed Jun 07 12:51:06 GMT+300 2017 17 17 0 0 0 0 0 0 0 0999 V2000 1.4000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.1876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 M END > Hexafluoro-2-(4-methylphenyl)propan-2-ol > Hexafluoro-2-(p-tolyl)isopropanol; 4-(Hexafluoro-2-hydroxyisopropyl)toluene > 503 > 1kg - 1865 > 7220 > 150 > 2010-61-9 > C10H8F6O > 258.16 > 97% > > 181-182 > 100 > 1,4166 > 1,4223-1,4240 $$$$ JME 2016-11-13 Wed Jun 07 12:36:43 GMT+300 2017 16 16 0 0 0 0 0 0 0 0999 V2000 2.8000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 M END > Hexafluoro-2-phenylpropan-2-ol > > 493 > 100g - 483 > 3530 > 0 > 718-64-9 > C9H6F6O > 244.14 > 97% > > 160-162 > 60 > 1,45 > 1,414-1,416 $$$$ JME 2017-02-26 Thu Jul 13 13:00:06 GMT+300 2017 17 17 0 0 0 0 0 0 0 0999 V2000 1.2125 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7998 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.6998 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 0.8874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 0.8875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3998 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1998 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 4 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 16 17 1 0 0 0 0 M END > 2-(1,1,2,3,3,3-Hexafluoropropoxy)phenol > > 1453 > 100g - 615 > 20 > 0 > 53998-00-8 > C9H6F6O2 > 260.13 > 97% > > 69-71/5 mm Hg > > > $$$$ JME 2016-11-13 Tue Jun 13 12:27:34 GMT+300 2017 17 17 0 0 0 0 0 0 0 0999 V2000 1.4000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 6.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.1876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.6124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 M END > 4-(2-Hydroxyhexafluoroisopropyl)phenol > 4-(Hexafluoro-2-hydroxyisopropyl)phenol; 1,1,1,3,3,3-Hexafluoro-2-(4-hydroxyphenyl)propan-2-ol; 2-(4-Hydroxyphenyl)hexafluoropropan-2-ol; 4-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethylethyl)phenol; 4-Hydroxy-α,α-bis(trifluoromethyl)benzenemethanol > 1126 > 100g - 1070 > 390 > 0 > 836-79-3 > C9H6F6O2 > 260.14 > 97% > 126-129 > > > > $$$$ JME 2017-02-26 Thu Apr 28 10:42:59 GMT+300 2022 17 17 0 0 0 0 0 0 0 0999 V2000 4.2000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 1.5876 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 4.0124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 5.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 3 10 1 0 0 0 0 3 6 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 6 17 1 0 0 0 0 M END > 2-(2-Hydroxyhexafluoroisopropyl)phenol > Hexafluoro-2-(2-hydroxyphenyl)propan-2-ol > 1729 > 100g - 1550 > 1207 > 0 > 836-78-2 > C9H6F6O2 > 230.14 > 97% > 72-77 > 106-115/20 mm Hg > > > $$$$ JME 2016-11-13 Tue Jun 13 15:41:29 GMT+300 2017 22 23 0 0 0 0 0 0 0 0999 V2000 8.4870 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 7.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 M END > 4-Hydroxynonafluorobiphenyl > > 1199 > 100g - 816 > 255 > 0 > 2894-87-3 > C12HF9O > 332.12 > 97% > 119-120 > > > > $$$$ OpenBabel07111612392D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 M END > 4-Hydroxy-2,3,5,6-tetrafluorostyrene > > 1831 > 500g - 2846; 1kg 3984 > 200 > 0 > 385422-30-0 > C8H4F4O > 192.11 > 97% > 27-34 > 69-70/5 mm Hg > > > $$$$ OpenBabel07111612402D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 M END > 4-Methoxy-2,3,5,6-tetrafluorobenzyl alcohol > (2,3,5,6-Tetrafluoro-4-methoxyphenyl)methanol > 1237 > 100g - 866 > 40 > 0 > 35175-79-2 > C8H6F4O2 > 210.13 > 97% > 36-37 > 120/10 mm Hg > > > $$$$ JME 2016-11-13 Thu Jun 08 10:30:46 GMT+300 2017 13 13 0 0 0 0 0 0 0 0999 V2000 2.4249 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 M END > 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol > 2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol > 639 > 100g - 857 > 2450 > 0 > 79538-03-7 > C8H6F4O > 194.13 > 97% > 60-62 > > > > $$$$ JME 2016-11-13 Thu Jun 08 10:48:48 GMT+300 2017 19 20 0 0 0 0 0 0 0 0999 V2000 2.4248 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 M END > 2,3,4,5,6-Pentafluorobenzhydrol > > 678 > 100g - 914 > 0 > 0 > 1944-05-4 > C13H7F5O > 274.19 > 97% > 47 > 115-117/1,7 mm Hg > > > $$$$ JME 2016-11-13 Thu Jun 08 10:50:09 GMT+300 2017 13 13 0 0 0 0 0 0 0 0999 V2000 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 M END > 2,3,4,5,6-Pentafluorobenzyl alcohol > Pentafluorophenylmethanol > 685 > 1kg - 1080 > 690 > 0 > 440-60-8 > C7H3F5O > 198.09 > 97% > 30-32 > 184-185 > 87 > > $$$$ JME 2016-11-13 Thu Jun 08 10:55:31 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 4.8498 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 M END > Pentafluorophenol > > 700 > 1kg - 540 > 2800 > 10000 > 771-61-9 > C6HF5O > 184.07 > 99%min > 34-36 > 142-143 > 72 > 1,757 > 1,427 $$$$ OpenBabel07111612382D 15 15 0 0 0 0 0 0 0 0999 V2000 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > 2-(Pentafluorophenoxy)ethanol > > 2040 > 500g - 1420 > 40 > 0 > 2192-55-4 > C8H5F5O2 > 228.12 > 97% > > 109-111/15 mm Hg > > 1,549 > 1,439-1,442 $$$$ JME 2016-11-13 Thu Jun 08 10:58:47 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 4.8497 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > 1-(Pentafluorophenyl)ethanol > Methyl pentafluorophenyl carbinol; a-Methyl pentafluorobenzyl alcohol > 707 > 1kg - 1528 > 0 > 100 > 830-50-2; 75853-08-6 > C8H5F5O > 212.12 > 97% > 34-37 > 88-91/17 mm Hg > 87 > > 1,4394-1,4400 $$$$ JME 2016-11-13 Thu Jun 08 10:58:55 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 4.8498 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END > 2-(Pentafluorophenyl)ethanol > > 708 > 100g - 773 > 30 > 0 > 653-31-6 > C8H5F5O > 212.12 > 97% > > 96-98/12 mm Hg > > 1,525 > 1,4430-1,4470 $$$$ JME 2017-02-26 Tue Jul 11 11:34:09 GMT+300 2017 15 15 0 0 0 0 0 0 0 0999 V2000 3.6372 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M END > 2-(Pentafluorophenyl)propan-2-ol > > 1449 > 100g - 970 > 0 > 0 > 715-31-1 > C9H7F5O > 226.14 > 97% > > 58/0,3 mm Hg > > > 1,4465 $$$$ JME 2017-02-26 Tue Jul 11 11:21:41 GMT+300 2017 15 15 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1248 3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 2.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 3.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 M END > 2,2,3,3,3-Pentafluoro-1-phenylpropan-1-ol > > 1445 > 100g - 965 > 0 > 0 > 345-40-4 > C9H7F5O > 226.14 > 97% > > 183-185 > > 1,371 > 1,434 $$$$ JME 2016-11-13 Fri Jun 09 10:58:01 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 2.4250 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 M END > 1-Phenyl-2,2,2-trifluoroethanol > > 903 > 100g - 870 > 0 > 0 > 340-05-6 > C8H7F3O > 176.14 > 97% > > 85/15 mm Hg > 84 > 1,295 > 1,461 $$$$ JME 2016-11-13 Wed Jun 14 10:45:50 GMT+300 2017 13 13 0 0 0 0 0 0 0 0999 V2000 2.4250 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M END > 2-Phenyl-1,1,1-trifluoropropan-2-ol > > 1232 > 100g - 770 > 0 > 0 > 426-54-0 > C9H9F3O > 190.16 > 97% > > 91-92/21 mm Hg > > 1,2511 > 1,4658 $$$$ JME 2016-11-13 Wed Jun 14 12:34:41 GMT+300 2017 12 11 0 0 0 0 0 0 0 0999 V2000 3.9546 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9546 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 1.4000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 2.6695 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 M CHG 1 11 -1 M CHG 1 12 1 M END > Potassium 2,3,5,6-tetrafluorophenolate > > 1314 > 500g - 669 > 100 > 0 > 42289-34-9 > C6HF4KO > 204.16 > 97% > > > > > $$$$ JME 2016-11-13 Fri Jun 09 15:26:03 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 4.8498 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 M END > Tetrafluorobenzene-1,4-diol > Tetrafluorohydroquinone > 967 > 100g - 735 > 830 > 0 > 771-63-1 > C6H2F4O2 > 182.07 > 97% > 169-173 > > > > $$$$ OpenBabel07111612412D 12 12 0 0 0 0 0 0 0 0999 V2000 1.7321 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 M END > Tetrafluorobenzene-1,3-diol > Tetrafluororesorcinol > 981 > 25g - 515 > 50 > 0 > 16840-25-8 > C6H2F4O2 > 182.07 > 97% > 95-96 > 217-218 > > > $$$$ JME 2017-02-26 Tue Jul 11 11:34:17 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 M END > 2,3,4,5-Tetrafluorobenzyl alcohol > > 1450 > 100g - 797 > 0 > 0 > 53072-18-7 > C7H4F4O > 180.1 > 97% > > 208 > > > 1,454-1,456 $$$$ JME 2016-11-13 Fri Jun 09 13:07:28 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 4.8497 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 M END > 2,3,5,6-Tetrafluorobenzyl alcohol > > 927 > 500g - 873 > 0 > 0 > 4084-38-2 > C7H4F4O > 180.1 > 97% > 32-34 > 220-225 > > > $$$$ JME 2016-11-13 Fri Jun 09 15:01:04 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 2.6123 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1874 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 3.1903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1874 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > 3-(1,1,2,2-Tetrafluoroethoxy)phenol > > 945 > 100g - 627 > 0 > 0 > 53997-99-2 > C8H6F4O2 > 210.13 > 97% > > 102-103/10 mm Hg > > > $$$$ JME 2016-11-13 Fri Jun 09 15:01:36 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 4.8499 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 2.0999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 0.8137 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7451 0.8778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 M END > 4-(1,1,2,2-Tetrafluoroethoxy)phenol > > 946 > 100g - 738 > 0 > 0 > 85578-29-6 > C8H6F4O2 > 210.13 > 97% > 47,5-48,5 > 106-107/10 mm Hg > > > $$$$ JME 2017-02-26 Thu Jul 02 15:22:43 GMT+300 2020 11 11 0 0 0 0 0 0 0 0999 V2000 2.1000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.8497 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 2.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 2 6 2 0 0 0 0 1 3 2 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 M END > 2,3,5,6-Tetrafluorophenol > > 965 > 1kg - 715 > 10260 > 200 > 769-39-1 > C6H2F4O > 166.07 > 98%min > 28-30 > 141-142 > 79 > > $$$$ JME 2016-11-13 Tue Jun 13 15:18:12 GMT+300 2017 16 16 0 0 0 0 0 0 0 0999 V2000 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 4.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 M END > 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl alcohol > 4-(Trifluoromethyl)tetrafluorobenzyl alcohol > 1190 > 100g - 753 > 60 > 0 > 79674-46-7 > C8H3F7O > 248.1 > 97% > 45-48 > 168-169 > > > $$$$ JME 2016-11-13 Wed Jun 07 11:14:13 GMT+300 2017 15 15 0 0 0 0 0 0 0 0999 V2000 6.0623 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 M END > 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol > Tetrafluoro-4-(trifluoromethyl)phenol; Tetrafluoro-4-hydroxybenzotrifluoride; 4-Hydroxytetrafluorobenzotrifluoride; 4-Hydroxy-perfluorotoluene > 433 > 100g - 668 > 1015 > 0 > 2787-79-3 > C7HF7O > 234.07 > 97% > 25 > 163-164 > 82 > 1,713 > 1,414 $$$$ OpenBabel07111612392D 13 13 0 0 1 0 0 0 0 0999 V2000 -0.0000 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > 1-[4-(Trifluoromethyl)phenyl]ethanol > α-Methyl-4-(trifluoromethyl)benzyl alcohol > 2010 > 250 g - 1415 > 0 > 0 > 1737-26-4 > C9H9F3O > 190.16 > 97% > > 63-65/0,5-1 mm Hg > 98 > 1,237 > 1,4614 $$$$