4-bromo-6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate
Chemical Structure Depiction of
4-bromo-6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate
4-bromo-6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate
Compound characteristics
| Compound ID: | 1166-1247 |
| Compound Name: | 4-bromo-6-chloro-2-oxo-2H-1,3-benzoxathiol-5-yl phenyl carbonate |
| Molecular Weight: | 401.62 |
| Molecular Formula: | C14 H6 Br Cl O5 S |
| Smiles: | c1ccc(cc1)OC(=O)Oc1c(cc2c(c1[Br])SC(=O)O2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0721 |
| logD: | 4.0721 |
| logSw: | -4.3931 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.874 |
| InChI Key: | MWFJPVIFHLYBDT-UHFFFAOYSA-N |