4-chloro-2-methylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-chloro-2-methylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
4-chloro-2-methylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3230-2645 |
| Compound Name: | 4-chloro-2-methylphenyl 2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 314.72 |
| Molecular Formula: | C17 H11 Cl O4 |
| Smiles: | Cc1cc(ccc1OC(C1=Cc2ccccc2OC1=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3815 |
| logD: | 4.3815 |
| logSw: | -4.6334 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.625 |
| InChI Key: | JOSHIGCMBZVQCP-UHFFFAOYSA-N |