3-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
3-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
3-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3057-1254 |
| Compound Name: | 3-methylphenyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 359.17 |
| Molecular Formula: | C17 H11 Br O4 |
| Smiles: | Cc1cccc(c1)OC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2647 |
| logD: | 4.2647 |
| logSw: | -4.6135 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.538 |
| InChI Key: | PLGKNWKGODDOHI-UHFFFAOYSA-N |