3-(5-Bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propane-1,2-diol
Basic information
- CAS
21431-57-2- Standard SMILES
Cc1nc([N+](=O)[O-])c(Br)n1CC(O)CO- InChIKey
NYTPKMBEGZQHAF-UHFFFAOYSA-N- Molecular formula
- C7H10BrN3O4
- Average molar mass
- 280.08 g/mol
- Monoisotopic mass
- 278.98547
Names & identifiers
- Preferred name
- 3-(5-Bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propane-1,2-diol
- IUPAC
- 3-(5-bromo-2-methyl-4-nitroimidazol-1-yl)propane-1,2-diol
Names & synonyms
21431-57-2NSC362811DTXSID703206463-(5-Bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propane-1,2-diolNSC-362811DS-0045893-(5-Bromo-2-methyl-4-nitro-imidazol-1-yl)propane-1,2-diol
Database identifiers
- CAS
21431-57-2- PubChem CID
- 338775
- DTXSID
DTXSID70320646
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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Related reactions
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Compound notes
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