Basic information
- CAS
196304-06-0- Standard SMILES
Cn1cncc1C(F)F- InChIKey
HANKEDPBJTVFAI-UHFFFAOYSA-N- Molecular formula
- C5H6F2N2
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04990452
Names & identifiers
- Preferred name
- 5-(difluoromethyl)-1-methyl-1H-imidazole
- IUPAC
- 5-(difluoromethyl)-1-methylimidazole
- English name
- 1H-Imidazole,5-(difluoromethyl)-1-methyl-(9CI)
- Molecular formula
- C5H6F2N2
- Molecular weight
- 132.11
Names & synonyms
5-(difluoromethyl)-1-methyl-1H-imidazole196304-06-0SCHEMBL9902716MFCD18808452SY2658431H-Imidazole, 5-(difluoromethyl)-1-methyl-1H-Imidazole,5-(difluoromethyl)-1-methyl-(9CI)
Database identifiers
- CAS
196304-06-0- PubChem CID
- 45087505
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Boiling point
- 230.1 · 230.1±30.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.93 · 4.93±0.22(Predicted)
Chemistry & industry
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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