A1AX5
概要
| 表記: | (1P)-1-(3-fluorophenyl)-1H-imidazole |
| 組成式: | C9 H7 F N2 |
| 電荷: | 0 |
| 化学式量: | 162.164 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (1P)-1-(3-fluorophenyl)-1H-imidazole |
| OpenEye OEToolkits | 2.0.7 | 1-(3-fluorophenyl)imidazole |
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 | 12.01 | Fc1cccc(c1)n1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H |
| InChIKey | InChI | 1.06 | SQJDRLQZCRNMQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)n2ccnc2 |
