IJX
Summary
| Name: | ~{N}-(4-bromophenyl)ethanamide |
| Formula: | C8 H8 Br N O |
| Formal charge: | 0 |
| Formula weight: | 214.059 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-bromophenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | MSLICLMCQYQNPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)Br |
