2-fluoro-1H-imidazole hydrochloride

• ChemBase ID: 294865
• Molecular Formular: C3H4ClFN2
• Molecular Mass: 122.5286632
• Monoisotopic Mass: 122.00470404
• SMILES: Fc1ncc[nH]1.Cl
• Canonical SMILES: Fc1ncc[nH]1.Cl
• InChI: InChI=1S/C3H3FN2.ClH/c4-3-5-1-2-6-3;/h1-2H,(H,5,6);1H
• InChIKey: PGQMOPKRUZDRSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1H-imidazole hydrochloride
• IUPAC Traditional name: 2-fluoro-1H-imidazole hydrochloride
• Synonyms: 2-Fluoro-1H-imidazole hydrochloride

Database IDs

• CAS Number: 42309-92-2
• PubChem SID: 180680396
• PubChem CID: 12624627

CALCULATED PROPERTIES

• Acid pKa: 8.842152
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.48041165
• LogD (pH = 7.4): 0.46636322
• Log P: 0.48120087
• Molar Refractivity: 19.4037 cm^3
• Polarizability: 6.9380145 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%