5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl benzenesulfonate
Chemical Structure Depiction of
5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl benzenesulfonate
5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl benzenesulfonate
Compound characteristics
| Compound ID: | 0217-0122 |
| Compound Name: | 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl benzenesulfonate |
| Molecular Weight: | 342.77 |
| Molecular Formula: | C13 H7 Cl O5 S2 |
| Smiles: | c1ccc(cc1)S(=O)(=O)Oc1cc2c(cc1[Cl])SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.2185 |
| logD: | 3.2185 |
| logSw: | -3.3617 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.159 |
| InChI Key: | BFNOFSPVJMJUKN-UHFFFAOYSA-N |