2-Chloromethyl-6-trifluoromethyl-1H-benzoimidazole

• Catalog: OFC107430295
• CAS: 107430-29-5
• Category: Fluorinated Benzimidazoles
• Synonyms: 1H-Benzimidazole,2-(chloromethyl)-6-(trifluoromethyl)-
• Purity: 95%
• MDL Number: MFCD08234908

• IUPAC Name: 2-(chloromethyl)-6-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H6ClF3N2/c10-4-8-14-6-2-1-5(9(11,12)13)3-7(6)15-8/h1-3H,4H2,(H,14,15)
• InChI Key: BETJTXDRGZCHGD-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCl

• Molecular Formula: C9H6ClF3N2
• Molecular Weight: 234.61

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.0171604 g/mol
• Monoisotopic Mass: 234.0171604 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234