4-methoxyphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-methoxyphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
4-methoxyphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 2222-0145 |
| Compound Name: | 4-methoxyphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 375.17 |
| Molecular Formula: | C17 H11 Br O5 |
| Smiles: | COc1ccc(cc1)OC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8419 |
| logD: | 3.8419 |
| logSw: | -4.1818 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.082 |
| InChI Key: | QPKUCSHPOAQQBQ-UHFFFAOYSA-N |