Basic information
- CAS
21431-58-3- Standard SMILES
Cc1nc(Br)c([N+](=O)[O-])n1C- InChIKey
ZNTMHCHYIKJJMI-UHFFFAOYSA-N- Molecular formula
- C5H6BrN3O2
- Average molar mass
- 220.02 g/mol
- Monoisotopic mass
- 218.96434
Names & identifiers
- Preferred name
- Imidazole, 4-bromo-1,2-dimethyl-5-nitro-
- IUPAC
- 4-bromo-1,2-dimethyl-5-nitroimidazole
Names & synonyms
21431-58-34-BROMO-1,2-DIMETHYL-5-NITROIMIDAZOLEImidazole, 4-bromo-1,2-dimethyl-5-nitro-DTXSID60175703RefChem:348871DTXCID40981944-Bromo-1,2-dimethyl-5-nitro-1H-imidazolestarbld0031695CHEMBL289285SCHEMBL8345199ZNTMHCHYIKJJMI-UHFFFAOYSA-NEN300-54555
Show more names
4-Bromo-1,2-dimethyl-5-nitro-1H-imidazole #
Database identifiers
- CAS
21431-58-3- PubChem CID
- 30626
- DTXSID
DTXSID60175703- ChEMBL
CHEMBL289285- Nikkaji
- J1.652.434D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
LogP0.87
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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