methyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
methyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 0440-0054 |
| Compound Name: | methyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 283.08 |
| Molecular Formula: | C11 H7 Br O4 |
| Smiles: | COC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4844 |
| logD: | 2.4844 |
| logSw: | -2.8521 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.334 |
| InChI Key: | CSJHGVIKEOYMML-UHFFFAOYSA-N |