2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0217-0124 |
| Compound Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C13 H7 N O7 S2 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Oc1ccc2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.836 |
| logD: | 2.836 |
| logSw: | -3.5975 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.454 |
| InChI Key: | GSEFQHILHWXQCY-UHFFFAOYSA-N |