22F
概要
| 表記: | (4-fluorophenyl)(pyridin-4-yl)methanone |
| 別名: | 4-(4-fluorobenzoyl)pyridine |
| 組成式: | C12 H8 F N O |
| 電荷: | 0 |
| 化学式量: | 201.196 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (4-fluorophenyl)(pyridin-4-yl)methanone |
| OpenEye OEToolkits | 1.5.0 | (4-fluorophenyl)-pyridin-4-yl-methanone |
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 | 10.04 | O=C(c1ccc(F)cc1)c2ccncc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(cc1)C(=O)c2ccncc2 |
| SMILES | CACTVS | 3.341 | Fc1ccc(cc1)C(=O)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)c2ccncc2)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)c2ccncc2)F |
| InChI | InChI | 1.03 | InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H |
| InChIKey | InChI | 1.03 | WTRWBYGUMQEFFI-UHFFFAOYSA-N |
