YLZ
概要
| 表記: | [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid |
| 組成式: | C8 H12 B F3 N2 O4 |
| 電荷: | 0 |
| 化学式量: | 267.998 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~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic 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/C8H12BF3N2O4/c1-14-7(2-6(13-14)8(10,11)12)9(17)18-4-5(16)3-15/h2,5,15-17H,3-4H2,1H3 |
| InChIKey | InChI | 1.06 | YSSTVIJJFZPQNG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1B(O)OC[C@H](O)CO)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1B(O)OC[CH](O)CO)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cc(nn1C)C(F)(F)F)(O)OC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cc(nn1C)C(F)(F)F)(O)OCC(CO)O |
