7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0312 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate |
| Molecular Weight: | 447.29 |
| Molecular Formula: | C21 H12 Cl2 O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccc(cc2)[Cl])c2c(c1)SC(=O)O2)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8202 |
| logD: | 5.8202 |
| logSw: | -6.069 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | VDLVZWBZCWTYOH-UHFFFAOYSA-N |