methyl {6-chloro-7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-4227 |
| Compound Name: | methyl {6-chloro-7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 469.7 |
| Molecular Formula: | C21 H15 Cl3 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4918 |
| logD: | 5.4918 |
| logSw: | -6.0258 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.3 |
| InChI Key: | HKZCVPPBKGOJAI-UHFFFAOYSA-N |