5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate
Chemical Structure Depiction of
5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate
5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate
Compound characteristics
| Compound ID: | 0331-0271 |
| Compound Name: | 5-chloro-4-nitro-2-oxo-2H-1,3-benzoxathiol-6-yl ethyl carbonate |
| Molecular Weight: | 319.67 |
| Molecular Formula: | C10 H6 Cl N O7 S |
| Smiles: | CCOC(=O)Oc1cc2c(c(c1[Cl])[N+]([O-])=O)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.1202 |
| logD: | 2.1202 |
| logSw: | -3.3053 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.942 |
| InChI Key: | DOZLXPDOAYOVMG-UHFFFAOYSA-N |