97Q
概要
| 表記: | 2,8-bis(trifluoromethyl)quinolin-4-ol |
| 組成式: | C11 H5 F6 N O |
| 電荷: | 0 |
| 化学式量: | 281.154 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 | 2.0.6 | 2,8-bis(trifluoromethyl)quinolin-4-ol |
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/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19) |
| InChIKey | InChI | 1.03 | JIWHKBAFGFPZKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O |
