7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0110 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C22 H15 Cl O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(COc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4488 |
| logD: | 5.4488 |
| logSw: | -5.7881 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.092 |
| InChI Key: | RHBVQEPBEIPUDB-UHFFFAOYSA-N |