4,6-dibromo-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Chemical Structure Depiction of
4,6-dibromo-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
4,6-dibromo-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Compound characteristics
| Compound ID: | 0801-1057 |
| Compound Name: | 4,6-dibromo-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate |
| Molecular Weight: | 466.12 |
| Molecular Formula: | C13 H6 Br2 O5 S2 |
| Smiles: | c1ccc(cc1)S(=O)(=O)Oc1c(cc2c(c1[Br])SC(=O)O2)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.973 |
| logD: | 3.973 |
| logSw: | -4.3679 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.245 |
| InChI Key: | UHBKPFWYAHAMBZ-UHFFFAOYSA-N |