PQH
概要
| 表記: | 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid |
| 組成式: | C7 H6 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 193.123 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 | 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid |
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/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | FZYQYTJVKWEWQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(cc1C(O)=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(cc1C(O)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc([nH]1)C(F)(F)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc([nH]1)C(F)(F)F)C(=O)O |
