1,5-Dimethyl-4,6-dinitrobenzimidazole
Basic information
- CAS
313496-83-2- Standard SMILES
Cc1c([N+](=O)[O-])cc2c(ncn2C)c1[N+](=O)[O-]- InChIKey
LMSQDAGMFGPQJX-UHFFFAOYSA-N- Molecular formula
- C9H8N4O4
- Average molar mass
- 236.18 g/mol
- Monoisotopic mass
- 236.05455475
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4,6-dinitrobenzimidazole
- IUPAC
- 1,5-dimethyl-4,6-dinitrobenzimidazole
- English name
- 4,6-bisnitro-1,5-dimethyl-1H-benzimidazole
- Molecular formula
- C9H8N4O4
- Molecular weight
- 236.18422
Names & synonyms
1,5-dimethyl-4,6-dinitrobenzimidazoleOprea1_6803514,6-bisnitro-1,5-dimethyl-1H-benzimidazoleAH-034/32857023
Database identifiers
- CAS
313496-83-2- PubChem CID
- 4543259
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
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