47A
Summary
| Name: | 2-amino-1-(4-bromophenyl)ethanone |
| Formula: | C8 H8 Br N O |
| Formal charge: | 0 |
| Formula weight: | 214.059 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-1-(4-bromophenyl)ethanone |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-1-(4-bromophenyl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(Br)cc1)CN |
| InChI | InChI | 1.03 | InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2 |
| InChIKey | InChI | 1.03 | ZQFATRVLQKIVTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC(=O)c1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | NCC(=O)c1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)CN)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=O)CN)Br |
