6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0217-0123 |
| Compound Name: | 6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzene-1-sulfonate |
| Molecular Weight: | 387.77 |
| Molecular Formula: | C13 H6 Cl N O7 S2 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Oc1cc2c(cc1[Cl])OC(=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.3872 |
| logD: | 3.3872 |
| logSw: | -3.939 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.54 |
| InChI Key: | MFRHPELOQVOJOC-UHFFFAOYSA-N |