butyl [(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
butyl [(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
butyl [(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-6933 |
| Compound Name: | butyl [(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C16 H17 Cl O5 |
| Smiles: | CCCCOC(COc1cc2c(cc1[Cl])C(C)=CC(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6429 |
| logD: | 3.6429 |
| logSw: | -3.9201 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.684 |
| InChI Key: | VFWMWQCSHLSPAU-UHFFFAOYSA-N |