36E
概要
| 表記: | 2-(trifluoromethyl)-1H-benzimidazole |
| 組成式: | C8 H5 F3 N2 |
| 電荷: | 0 |
| 化学式量: | 186.134 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-benzimidazole |
| OpenEye OEToolkits | 1.7.6 | 2-(trifluoromethyl)-1H-benzimidazole |
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 | FC(F)(F)c2nc1ccccc1n2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13) |
| InChIKey | InChI | 1.03 | MXFMPTXDHSDMTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)c1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.370 | FC(F)(F)c1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)C(F)(F)F |
