6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzoate
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-3739 |
| Compound Name: | 6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C18 H13 Cl O4 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OC(c1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3454 |
| logD: | 4.3454 |
| logSw: | -4.7559 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.625 |
| InChI Key: | ZBESYFBDIGRAOQ-UHFFFAOYSA-N |