DIJ
Summary
| Name: | 3-(4-bromophenyl)propanal |
| Formula: | C9 H9 Br O |
| Formal charge: | 0 |
| Formula weight: | 213.071 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-bromophenyl)propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2 |
| InChIKey | InChI | 1.03 | RXZJWVPNFPPSEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(CCC=O)cc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(CCC=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC=O)Br |
