DQZ
Summary
| Name: | 3-(4-bromophenyl)propanoic acid |
| Formula: | C9 H9 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 229.071 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(4-bromophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12) |
| InChIKey | InChI | 1.03 | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCC(=O)O)Br |
