7-(3-chloro-4-methylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
7-(3-chloro-4-methylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
7-(3-chloro-4-methylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | 5786-2840 |
| Compound Name: | 7-(3-chloro-4-methylphenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 292.74 |
| Molecular Formula: | C14 H9 Cl O3 S |
| Smiles: | Cc1ccc(cc1[Cl])c1cc(cc2c1OC(=O)S2)O |
| Stereo: | ACHIRAL |
| logP: | 4.6331 |
| logD: | 4.6289 |
| logSw: | -4.5693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.34 |
| InChI Key: | XQKXEIUMCIPPBU-UHFFFAOYSA-N |