3,4-dimethylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
3,4-dimethylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 2798-0150 |
| Compound Name: | 3,4-dimethylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 373.2 |
| Molecular Formula: | C18 H13 Br O4 |
| Smiles: | Cc1ccc(cc1C)OC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8099 |
| logD: | 4.8099 |
| logSw: | -4.8076 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.538 |
| InChI Key: | GHSONBCFYHGBQB-UHFFFAOYSA-N |