2-Bromo-1-methyl-4-nitro-1H-imidazole
Basic information
- CAS
16681-63-3- Standard SMILES
Cn1cc([N+](=O)[O-])nc1Br- InChIKey
CYEJSGQRECDITG-UHFFFAOYSA-N- Molecular formula
- C4H4BrN3O2
- Average molar mass
- 206 g/mol
- Monoisotopic mass
- 204.94869
Names & identifiers
- Preferred name
- 2-Bromo-1-methyl-4-nitro-1H-imidazole
- IUPAC
- 2-bromo-1-methyl-4-nitroimidazole
- English name
- 1H-Imidazole,2-bromo-1-methyl-4-nitro-
- Molecular formula
- C4H4BrN3O2
- Molecular weight
- 205.99746
Names & synonyms
2-BROMO-1-METHYL-4-NITRO-1H-IMIDAZOLE16681-63-3DTXSID20168191NSC 347484RefChem:256921DTXCID90906822-bromo-1-methyl-4-nitroimidazoleNSC3474842-bromo-N-methylnitroimidazoleSCHEMBL3282371AT53654NSC-347484
Show more names
1H-Imidazole,2-bromo-1-methyl-4-nitro-
imidazole, 2-bromo-1-methyl-4-nitro-DB-409226
Database identifiers
- CAS
16681-63-3- PubChem CID
- 27994
- DTXSID
DTXSID20168191- Nikkaji
- J1.286.889H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LogP0.33
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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