W8K
Summary
| Name: | N-[(3-bromophenyl)methyl]acetamide |
| Formula: | C9 H10 Br N O |
| Formal charge: | 0 |
| Formula weight: | 228.086 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3-bromophenyl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3-bromophenyl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(CNC(C)=O)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10BrNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | UVPIDNMBEZYIIU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1cccc(Br)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1cccc(c1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1cccc(c1)Br |
