Basic information
- CAS
59177-47-8- Standard SMILES
Cn1cnc(Br)c1[N+](=O)[O-]- InChIKey
BGLUVFAUVMTRAM-UHFFFAOYSA-N- Molecular formula
- C4H4BrN3O2
- Average molar mass
- 206 g/mol
- Monoisotopic mass
- 204.94869
Names & identifiers
- Preferred name
- 4-Bromo-1-methyl-5-nitro-1H-imidazole
- IUPAC
- 4-bromo-1-methyl-5-nitroimidazole
- English name
- 4-Bromo-1-methyl-5-nitro-1H-imidazole
- Molecular formula
- C4H4BrN3O2
- Molecular weight
- 206
Names & synonyms
4-BROMO-1-METHYL-5-NITRO-1H-IMIDAZOLE59177-47-8DTXSID70207903NSC 329117RefChem:290520DTXCID801303944-bromo-1-methyl-5-nitroimidazoleNSC3291171H-Imidazole, 4-bromo-1-methyl-5-nitro-BGLUVFAUVMTRAM-UHFFFAOYSA-NNSC-329117Imidazole, 4-bromo-1-methyl-5-nitro-
Show more names
4-Bromo-5-nitro-1-methyl-1H-imidazole1-Methyl-4-bromo-5-nitro-1H-imidazole
4-Bromo-1-methyl-5-nitro-1H-imidazole #DB-367369
Database identifiers
- CAS
59177-47-8- PubChem CID
- 42964
- DTXSID
DTXSID70207903- Nikkaji
- J449.899B
Properties
Computed structural properties
- XLogP
- 0.8
- 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
LogP0.77
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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