4-chloro-2-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-chloro-2-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
4-chloro-2-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3130-1207 |
| Compound Name: | 4-chloro-2-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 393.62 |
| Molecular Formula: | C17 H10 Br Cl O4 |
| Smiles: | Cc1cc(ccc1OC(C1=Cc2cc(ccc2OC1=O)[Br])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1208 |
| logD: | 5.1208 |
| logSw: | -5.5498 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.625 |
| InChI Key: | CAEZEQXWMCEPMR-UHFFFAOYSA-N |