PFB
概要
| 表記: | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL |
| 組成式: | C7 H3 F5 O |
| 電荷: | 0 |
| 化学式量: | 198.09 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (pentafluorophenyl)methanol |
| OpenEye OEToolkits | 1.5.0 | (2,3,4,5,6-pentafluorophenyl)methanol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Fc1c(c(F)c(F)c(F)c1F)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCc1c(F)c(F)c(F)c(F)c1F |
| SMILES | CACTVS | 3.341 | OCc1c(F)c(F)c(F)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(c1c(c(c(c(c1F)F)F)F)F)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(c1c(c(c(c(c1F)F)F)F)F)O |
| InChI | InChI | 1.03 | InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2 |
| InChIKey | InChI | 1.03 | PGJYYCIOYBZTPU-UHFFFAOYSA-N |
