2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0054 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C22 H15 Cl O5 S |
| Smiles: | Cc1cc(ccc1[Cl])OCC(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.805 |
| logD: | 5.805 |
| logSw: | -5.8803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | CHOSAUNJAFCYES-UHFFFAOYSA-N |