56U
概要
| 表記: | 2-(difluoromethyl)-1H-benzimidazole |
| 組成式: | C8 H6 F2 N2 |
| 電荷: | 0 |
| 化学式量: | 168.143 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-(difluoromethyl)-1H-benzimidazole |
| OpenEye OEToolkits | 1.9.2 | 2-[bis(fluoranyl)methyl]-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 | c2c1c(nc(C(F)F)n1)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12) |
| InChIKey | InChI | 1.03 | PURNIHSRWGYONZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)c1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | FC(F)c1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)[nH]c(n2)C(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)[nH]c(n2)C(F)F |
