PK7
概要
| 表記: | 1-(3-chloro-4-fluorophenyl)methanamine |
| 組成式: | C7 H7 Cl F N |
| 電荷: | 0 |
| 化学式量: | 159.589 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 | 1-(3-chloro-4-fluorophenyl)methanamine |
| OpenEye OEToolkits | 2.0.6 | (3-chloranyl-4-fluoranyl-phenyl)methanamine |
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 | C(c1ccc(F)c(c1)Cl)N |
| InChI | InChI | 1.03 | InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2 |
| InChIKey | InChI | 1.03 | LQAUXDMGRBWDIU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(F)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NCc1ccc(F)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CN)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CN)Cl)F |
