TCF
Summary
| Name: | 3-(4-BROMOPHENYL)PROPANAMIDE |
| Synonyms: | PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE |
| Formula: | C9 H10 Br N O |
| Formal charge: | 0 |
| Formula weight: | 228.086 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-bromophenyl)propanamide |
| OpenEye OEToolkits | 1.6.1 | 3-(4-bromophenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1ccc(cc1)CCC(=O)N |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)CCc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.352 | NC(=O)CCc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CCC(=O)N)Br |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CCC(=O)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12) |
| InChIKey | InChI | 1.03 | MSYVIHNLCVUBFM-UHFFFAOYSA-N |
