methyl (4,6-dinitro-3-oxo-1,2-benzothiazol-2(3H)-yl)acetate
Chemical Structure Depiction of
methyl (4,6-dinitro-3-oxo-1,2-benzothiazol-2(3H)-yl)acetate
methyl (4,6-dinitro-3-oxo-1,2-benzothiazol-2(3H)-yl)acetate
Compound characteristics
| Compound ID: | 8011-9640 |
| Compound Name: | methyl (4,6-dinitro-3-oxo-1,2-benzothiazol-2(3H)-yl)acetate |
| Molecular Weight: | 313.24 |
| Molecular Formula: | C10 H7 N3 O7 S |
| Smiles: | COC(CN1C(c2c(cc(cc2S1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.959 |
| logD: | 0.959 |
| logSw: | -1.8726 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.94 |
| InChI Key: | JOHWNCWOHRPLAC-UHFFFAOYSA-N |