JXL
概要
| 表記: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid |
| 組成式: | C5 H6 B F3 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 193.92 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)pyrazol-3-yl]boronic 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 | 1.06 | InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3 |
| InChIKey | InChI | 1.06 | XPUNXPPXMANQGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1B(O)O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1B(O)O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cc(nn1C)C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cc(nn1C)C(F)(F)F)(O)O |
