butyl 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate
Chemical Structure Depiction of
butyl 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate
butyl 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate
Compound characteristics
| Compound ID: | 5755-0036 |
| Compound Name: | butyl 5,7-dibromo-2-oxo-2H-1,3-benzoxathiol-6-yl carbonate |
| Molecular Weight: | 426.08 |
| Molecular Formula: | C12 H10 Br2 O5 S |
| Smiles: | CCCCOC(=O)Oc1c(cc2c(c1[Br])OC(=O)S2)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3006 |
| logD: | 4.3006 |
| logSw: | -4.255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.228 |
| InChI Key: | DKFMOQIZOURGFN-UHFFFAOYSA-N |