TU5
概要
| 表記: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
| 組成式: | C11 H10 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 241.212 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 | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
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 | 1.06 | InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 |
| InChIKey | InChI | 1.06 | WWTGXYAJVXKEKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F |
