51R
概要
| 表記: | 3-(trifluoromethyl)aniline |
| 組成式: | C7 H6 F3 N |
| 電荷: | 0 |
| 化学式量: | 161.124 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 | 3-(trifluoromethyl)aniline |
| OpenEye OEToolkits | 1.9.2 | 3-(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 |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1C(F)(F)F)N |
| InChI | InChI | 1.03 | InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2 |
| InChIKey | InChI | 1.03 | VIUDTWATMPPKEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)N)C(F)(F)F |
