5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl 4-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl 4-nitrobenzene-1-sulfonate
5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl 4-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8014-7410 |
| Compound Name: | 5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl 4-nitrobenzene-1-sulfonate |
| Molecular Weight: | 432.22 |
| Molecular Formula: | C13 H6 Br N O7 S2 |
| Smiles: | c1cc(ccc1[N+]([O-])=O)S(=O)(=O)Oc1cc2c(cc1[Br])SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.5042 |
| logD: | 3.5042 |
| logSw: | -3.9618 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.54 |
| InChI Key: | GYLHPBKPIDGLJT-UHFFFAOYSA-N |