6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl butyl carbonate
Chemical Structure Depiction of
6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl butyl carbonate
6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl butyl carbonate
Compound characteristics
| Compound ID: | 8013-2309 |
| Compound Name: | 6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl butyl carbonate |
| Molecular Weight: | 347.18 |
| Molecular Formula: | C12 H11 Br O5 S |
| Smiles: | CCCCOC(=O)Oc1cc2c(cc1[Br])OC(=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.4362 |
| logD: | 3.4362 |
| logSw: | -3.6402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.457 |
| InChI Key: | CXLNAPJECARTFS-UHFFFAOYSA-N |