EXD
概要
| 表記: | 2-(trifluoromethyl)-1H-benzimidazol-7-ol |
| 組成式: | C8 H5 F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 202.133 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(trifluoromethyl)-1H-benzimidazol-7-ol |
| OpenEye OEToolkits | 2.0.6 | 2-(trifluoromethyl)-3~{H}-benzimidazol-4-ol |
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 | 12.01 | c1c(c2nc(C(F)(F)F)nc2cc1)O |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3N2O/c9-8(10,11)7-12-4-2-1-3-5(14)6(4)13-7/h1-3,14H,(H,12,13) |
| InChIKey | InChI | 1.03 | LHFTYTVRWFFRAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc2nc([nH]c12)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1cccc2nc([nH]c12)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F |
