Basic information
- CAS
5213-50-3- Standard SMILES
Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]- InChIKey
GHLBJBRVTJECDP-UHFFFAOYSA-N- Molecular formula
- C4H4N4O4
- Average molar mass
- 172.1 g/mol
- Monoisotopic mass
- 172.02325462
Names & identifiers
- Preferred name
- 1-Methyl-2,4-dinitro-1H-imidazole
- IUPAC
- 1-methyl-2,4-dinitroimidazole
Names & synonyms
1-METHYL-2,4-DINITRO-1H-IMIDAZOLE5213-50-3DTXSID30200137NSC 342705RefChem:231563DTXCID301226281-methyl-2,4-dinitroimidazoleNSC342705SCHEMBL5353581GHLBJBRVTJECDP-UHFFFAOYSA-Nimidazole, 1-methyl-2,4-dinitro-MFCD00516994
Show more names
AKOS001633987NSC-342705EU-0004986
Database identifiers
- CAS
5213-50-3- PubChem CID
- 21276
- DTXSID
DTXSID30200137- Nikkaji
- J1.586.203C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
LogP-0.17
Related reactions
3 records
Compound notes
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