2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0041 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2-chlorophenoxy)acetate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9203 |
| logD: | 4.9203 |
| logSw: | -5.0384 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.092 |
| InChI Key: | KFENPKVQEYWWFY-UHFFFAOYSA-N |