4,6-dibromo-7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Chemical Structure Depiction of
4,6-dibromo-7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
4,6-dibromo-7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate
Compound characteristics
| Compound ID: | 8002-1705 |
| Compound Name: | 4,6-dibromo-7-methyl-2-oxo-2H-1,3-benzoxathiol-5-yl benzenesulfonate |
| Molecular Weight: | 480.15 |
| Molecular Formula: | C14 H8 Br2 O5 S2 |
| Smiles: | Cc1c2c(c(c(c1[Br])OS(c1ccccc1)(=O)=O)[Br])SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.3003 |
| logD: | 4.3003 |
| logSw: | -4.4353 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.93 |
| InChI Key: | FBOFGFLCVONCJJ-UHFFFAOYSA-N |