V86
Summary
| Name: | 2-bromo-N-ethylbenzamide |
| 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 | 2-bromo-N-ethylbenzamide |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-~{N}-ethyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC)c1ccccc1Br |
| InChI | InChI | 1.06 | InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | DWCBZUWYUAIEEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1ccccc1Br |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1ccccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccccc1Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccccc1Br |
