5-Chloro-6-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1360940711
• CAS: 1360940-71-1
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD22378826

• IUPAC Name: 5-chloro-6-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4ClF3N2/c9-5-2-7-6(13-3-14-7)1-4(5)8(10,11)12/h1-3H,(H,13,14)
• InChI Key: HQFNUCXOANACBR-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=CC2=C1NC=N2)Cl)C(F)(F)F

• Molecular Formula: C8H4ClF3N2
• Molecular Weight: 220.58

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 220.0015103 g/mol
• Monoisotopic Mass: 220.0015103 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 221