5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate
Chemical Structure Depiction of
5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate
5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate
Compound characteristics
| Compound ID: | 8011-1778 |
| Compound Name: | 5-bromo-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate |
| Molecular Weight: | 305.1 |
| Molecular Formula: | C9 H5 Br O5 S |
| Smiles: | COC(=O)Oc1cc2c(cc1[Br])SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 1.983 |
| logD: | 1.983 |
| logSw: | -2.062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.583 |
| InChI Key: | IIZJTEOXPXRALI-UHFFFAOYSA-N |