1-Methyl-2-(2-methyl-2-nitropropyl)-5-nitro-1H-imidazole
Basic information
- CAS
141363-20-4- Standard SMILES
Cn1c([N+](=O)[O-])cnc1CC(C)(C)[N+](=O)[O-]- InChIKey
PTKNHRQHWSKGIZ-UHFFFAOYSA-N- Molecular formula
- C8H12N4O4
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.08585488
Names & identifiers
- Preferred name
- 1-Methyl-2-(2-methyl-2-nitropropyl)-5-nitro-1H-imidazole
- IUPAC
- 1-methyl-2-(2-methyl-2-nitropropyl)-5-nitroimidazole
Names & synonyms
141363-20-41-Methyl-2-(2-methyl-2-nitropropyl)-5-nitro-1H-imidazoleDTXSID40161700
Database identifiers
- CAS
141363-20-4- PubChem CID
- 3025752
- DTXSID
DTXSID40161700
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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