4,6-Difluoro-1,3-dihydro-2H-benzimidazol-2-one

• Catalog: OFC1221793663
• CAS: 1221793-66-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 4,6-Difluoro-2,3-dihydro-2-oxo-1H-benzimidazole
• Purity: 96%
• MDL Number: MFCD16036122

• IUPAC Name: 4,6-difluoro-1,3-dihydrobenzimidazol-2-one
• InChI: InChI=1S/C7H4F2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H2,10,11,12)
• InChI Key: WYUDQMPZFGJEFY-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=O)N2)F)F

• Molecular Formula: C7H4F2N2O
• Molecular Weight: 170.12

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.02916908 g/mol
• Monoisotopic Mass: 170.02916908 g/mol
• Topological Polar Surface Area: 41.1Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 212