4,6-dinitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
Chemical Structure Depiction of
4,6-dinitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
4,6-dinitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate
Compound characteristics
| Compound ID: | 0665-0081 |
| Compound Name: | 4,6-dinitro-2-oxo-2H-1,3-benzoxathiol-5-yl methyl carbonate |
| Molecular Weight: | 316.2 |
| Molecular Formula: | C9 H4 N2 O9 S |
| Smiles: | COC(=O)Oc1c(cc2c(c1[N+]([O-])=O)SC(=O)O2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0184 |
| logD: | 1.0184 |
| logSw: | -1.8572 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 117.53 |
| InChI Key: | BXVKBNPNUFOKOS-UHFFFAOYSA-N |