6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
Chemical Structure Depiction of
6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
Compound characteristics
| Compound ID: | 0279-0227 |
| Compound Name: | 6-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate |
| Molecular Weight: | 305.65 |
| Molecular Formula: | C9 H4 Cl N O7 S |
| Smiles: | COC(=O)Oc1c(cc2c(c1[N+]([O-])=O)SC(=O)O2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.8483 |
| logD: | 1.8483 |
| logSw: | -2.8325 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.449 |
| InChI Key: | YDKAICSDAOTTCA-UHFFFAOYSA-N |