6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | Y040-4057 |
| Compound Name: | 6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 344.75 |
| Molecular Formula: | C18 H13 Cl O5 |
| Smiles: | CC(=O)Oc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4245 |
| logD: | 3.4245 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.756 |
| InChI Key: | QGSYGXQXEUKCMT-UHFFFAOYSA-N |