7-(3,4-dichlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Chemical Structure Depiction of
7-(3,4-dichlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
7-(3,4-dichlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one
Compound characteristics
| Compound ID: | 8013-1121 |
| Compound Name: | 7-(3,4-dichlorophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-one |
| Molecular Weight: | 313.16 |
| Molecular Formula: | C13 H6 Cl2 O3 S |
| Smiles: | c1cc(c(cc1c1cc(cc2c1OC(=O)S2)O)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7172 |
| logD: | 4.713 |
| logSw: | -4.6343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.34 |
| InChI Key: | IUEZPTXQEWNYKD-UHFFFAOYSA-N |