2-(Nitromethyl)-1H-imidazole
Basic information
- CAS
393516-79-5- Standard SMILES
O=[N+]([O-])Cc1ncc[nH]1- InChIKey
UJGLGHFVENLPLA-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Names & identifiers
- Preferred name
- 2-(Nitromethyl)-1H-imidazole
- IUPAC
- 2-(nitromethyl)-1H-imidazole
- English name
- 2-Nitromethyl imidazole
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
393516-79-52-(nitromethyl)-1H-imidazoleRefChem:2544462-NITROMETHYLIMIDAZOLESCHEMBL10720866DTXSID801308671AKOS006279114EN300-18419652-Nitromethyl imidazole1H-Imidazole,2-(nitromethyl)-(9CI)
Database identifiers
- CAS
393516-79-5- PubChem CID
- 34181512
- DTXSID
DTXSID801308671
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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