(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Chemical Structure Depiction of
(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
(6-bromo-2H-1,3-benzodioxol-5-yl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Compound characteristics
| Compound ID: | 8017-0244 |
| Compound Name: | (6-bromo-2H-1,3-benzodioxol-5-yl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate |
| Molecular Weight: | 398.17 |
| Molecular Formula: | C14 H12 Br N3 O6 |
| Smiles: | Cc1nc(c(C(=O)OCc2cc3c(cc2[Br])OCO3)n1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9175 |
| logD: | 1.9175 |
| logSw: | -2.1459 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.853 |
| InChI Key: | JTLKEZFDMYIOQC-UHFFFAOYSA-N |