A73
Summary
| Name: | 2-(4-bromophenyl)-4H-chromen-4-one |
| Formula: | C15 H9 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 301.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-bromophenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-(4-bromophenyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H |
| InChIKey | InChI | 1.03 | URZUAHXELZUWFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | Brc1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br |
