2-[2-(Trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetonitrile

• Catalog: OFC478042432
• CAS: 478042-43-2
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetonitrile
• Purity: 95%
• MDL Number: MFCD02187083

• IUPAC Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetonitrile
• InChI: InChI=1S/C10H6F3N3/c11-10(12,13)9-15-7-3-1-2-4-8(7)16(9)6-5-14/h1-4H,6H2
• InChI Key: FGQQPVKNHDGDEY-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(N2CC#N)C(F)(F)F

• Molecular Formula: C10H6F3N3
• Molecular Weight: 225.17

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.05138169 g/mol
• Monoisotopic Mass: 225.05138169 g/mol
• Topological Polar Surface Area: 41.6Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 306