3-(1H-Benzo[d]imidazol-2-yl)-1,1,1-trifluoropropan-2-one

• Catalog: OFC782558
• CAS: 782-55-8
• Category: Fluorinated Benzimidazoles
• Synonyms: 3-(1H-benzimidazol-2-yl)-1,1,1-trifluoroacetone
• Purity: >95%
• MDL Number: MFCD03992419

• IUPAC Name: 3-(1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
• InChI: InChI=1S/C10H7F3N2O/c11-10(12,13)8(16)5-9-14-6-3-1-2-4-7(6)15-9/h1-4H,5H2,(H,14,15)
• InChI Key: HJYPHXMVQPUHIO-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)CC(=O)C(F)(F)F

• Molecular Formula: C10H7F3N2O
• Molecular Weight: 228.17

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 228.05104734 g/mol
• Monoisotopic Mass: 228.05104734 g/mol
• Topological Polar Surface Area: 45.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 280