7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0083 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C22 H15 Cl O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6489 |
| logD: | 5.6489 |
| logSw: | -5.9049 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | CPERXROXNVCFID-UHFFFAOYSA-N |