methyl (4,6-dinitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate
Chemical Structure Depiction of
methyl (4,6-dinitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate
methyl (4,6-dinitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate
Compound characteristics
| Compound ID: | 8011-9706 |
| Compound Name: | methyl (4,6-dinitro-1,3-dioxo-1,3-dihydro-2H-1lambda~4~,2-benzothiazol-2-yl)acetate |
| Molecular Weight: | 329.24 |
| Molecular Formula: | C10 H7 N3 O8 S |
| Smiles: | COC(CN1C(c2c(cc(cc2S1=O)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2169 |
| logD: | 0.2169 |
| logSw: | -1.6931 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 119.273 |
| InChI Key: | RLMONEZMIAHTNO-UHFFFAOYSA-N |