2-Chloro-6-fluoro-5-(trifluoromethyl)-1H-1,3-benzimidazole

• Catalog: OFC1012070368
• CAS: 1012070-36-8
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-Chloro-5-fluoro-6-trifluoromethyl-1H-benzimidazole
• MDL Number: MFCD23132256

• IUPAC Name: 2-chloro-5-fluoro-6-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H3ClF4N2/c9-7-14-5-1-3(8(11,12)13)4(10)2-6(5)15-7/h1-2H,(H,14,15)
• InChI Key: GFSLQOWNVKYWFM-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=CC2=C1NC(=N2)Cl)F)C(F)(F)F

• Molecular Formula: C8H3ClF4N2
• Molecular Weight: 238.57

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 237.9920884 g/mol
• Monoisotopic Mass: 237.9920884 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 247