FBA
概要
| 表記: | 4-FLUOROBENZYLAMINE |
| 組成式: | C7 H9 F N |
| 電荷: | 1 |
| 化学式量: | 126.151 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)methanaminium |
| OpenEye OEToolkits | 1.5.0 | (4-fluorophenyl)methylazanium |
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 | Fc1ccc(cc1)C[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+]Cc1ccc(F)cc1 |
| SMILES | CACTVS | 3.341 | [NH3+]Cc1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[NH3+])F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[NH3+])F |
| InChI | InChI | 1.03 | InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1 |
| InChIKey | InChI | 1.03 | IIFVWLUQBAIPMJ-UHFFFAOYSA-O |
