2Nitroimidazole123dimethoxypropyl
Basic information
- Standard SMILES
COCC(Cn1ccnc1[N+](=O)[O-])OC- InChIKey
BJIBMOSZTPWODA-UHFFFAOYSA-N- Molecular formula
- C8H13N3O4
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.0906059
Names & identifiers
- Preferred name
- 2Nitroimidazole123dimethoxypropyl
- IUPAC
- 1-(2,3-dimethoxypropyl)-2-nitroimidazole
Names & synonyms
NSC307222DTXSID80875753NSC-3072222NITROIMIDAZOLE123DIMETHOXYPROPYL1-(2,3-Dimethoxypropyl)-2-nitro-1H-imidazole
Database identifiers
- PubChem CID
- 328554
- DTXSID
DTXSID80875753
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
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Related reactions
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Compound notes
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