4-Fluoro-1-methyl-5-nitro-1H-imidazole
Basic information
- CAS
104575-33-9- Standard SMILES
Cn1cnc(F)c1[N+](=O)[O-]- InChIKey
OUMIZPNWHCYJHT-UHFFFAOYSA-N- Molecular formula
- C4H4FN3O2
- Average molar mass
- 145.09 g/mol
- Monoisotopic mass
- 145.02875454
Names & identifiers
- Preferred name
- 4-Fluoro-1-methyl-5-nitro-1H-imidazole
- IUPAC
- 4-fluoro-1-methyl-5-nitroimidazole
- English name
- 4-Fluoro-1-methyl-5-nitro-1H-imidazole
- Molecular formula
- C4H4FN3O2
- Molecular weight
- 145.09
Names & synonyms
4-Fluoro-1-methyl-5-nitro-1H-imidazole104575-33-91H-Imidazole, 4-fluoro-1-methyl-5-nitro-CHEMBL288601DTXSID20146575
Database identifiers
- CAS
104575-33-9- PubChem CID
- 149335
- DTXSID
DTXSID20146575- ChEMBL
CHEMBL288601
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 97.5 · 97.5-98.0 °C
- Boiling point
- 349.4 · 349.4±22.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- -0.09 · -0.09±0.61(Predicted)
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Compound notes
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