methyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
Chemical Structure Depiction of
methyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
methyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
Compound characteristics
| Compound ID: | 4872-0229 |
| Compound Name: | methyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate |
| Molecular Weight: | 280.19 |
| Molecular Formula: | C10 H8 N4 O6 |
| Smiles: | COC(\C(=C1/Nc2ccc(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6214 |
| logD: | -0.4408 |
| logSw: | -2.281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.671 |
| InChI Key: | JGQYMNHFKPFUSS-UHFFFAOYSA-N |