Imidazole, 4-methyl-2-nitro-, mixed with 5-methyl-2-nitroimidazole (1:1)
Basic information
- CAS
5213-35-4- Standard SMILES
Cc1cnc([N+](=O)[O-])[nH]1- InChIKey
LIONKSIUQQYOMX-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- Imidazole, 4-methyl-2-nitro-, mixed with 5-methyl-2-nitroimidazole (1:1)
- IUPAC
- 5-methyl-2-nitro-1H-imidazole
- English name
- 2-Nitro-5-methyl-1H-imidazole
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
5213-35-4DTXSID90200133RefChem:1087203DTXCID901226245-methyl-2-nitro-1H-imidazole4-Methyl-2-nitroimidazoleMETHYLNITROIMIDAZOLEImidazole, 4-methyl-2-nitro-1H-Imidazole, 4-methyl-2-nitro-4-methyl-2nitroimidazole5-Methyl-2-nitroimidazole5-methyl-2-nitro-imidazole
Show more names
4-Methyl-2-nitro-1H-imidazole2-Nitro-5-methyl-1H-imidazole1H-Imidazole, 5-methyl-2-nitro-
SCHEMBL1979559SCHEMBL2280192SCHEMBL2280195SCHEMBL56129294-Methyl-2-nitro-1H-imidazole #FAA21335MFCD21333185AKOS006346846
Database identifiers
- CAS
5213-35-4- PubChem CID
- 21274
- DTXSID
DTXSID90200133- Nikkaji
- J238.918E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
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Related reactions
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Compound notes
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