W15
概要
| 表記: | 2-(2-chloro-6-fluorophenyl)ethan-1-amine |
| 組成式: | C8 H9 Cl F N |
| 電荷: | 0 |
| 化学式量: | 173.615 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 | 2-(2-chloro-6-fluorophenyl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | 2-(2-chloranyl-6-fluoranyl-phenyl)ethanamine |
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 | Clc1cccc(F)c1CCN |
| InChI | InChI | 1.06 | InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2 |
| InChIKey | InChI | 1.06 | NNEMMAAHBKHXLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1c(F)cccc1Cl |
| SMILES | CACTVS | 3.385 | NCCc1c(F)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)CCN)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)CCN)F |
