63Z
概要
| 表記: | [1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol |
| 別名: | (1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol |
| 組成式: | C10 H7 Cl F3 N3 O |
| 電荷: | 0 |
| 化学式量: | 277.63 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]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 |
| InChI | InChI | 1.03 | InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2 |
| InChIKey | InChI | 1.03 | MTSIIXPDVHCKBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl |
