A1L6U
Summary
| Name: | 3-(3-bromophenyl)-~{N}-ethyl-propanamide |
| Formula: | C11 H14 Br N O |
| Formal charge: | 0 |
| Formula weight: | 256.139 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-bromophenyl)-~{N}-ethyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | UGAKXJNKHSOXDT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)CCc1cccc(Br)c1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)CCc1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)CCc1cccc(c1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)CCc1cccc(c1)Br |
