2-Chloro-4-fluoro-6-(trifluoromethoxy)-1H-1,3-benzimidazole

• Catalog: OFC1804197872
• CAS: 1804197-87-2
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28155000

• IUPAC Name: 2-chloro-4-fluoro-6-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H3ClF4N2O/c9-7-14-5-2-3(16-8(11,12)13)1-4(10)6(5)15-7/h1-2H,(H,14,15)
• InChI Key: ZEWRBTGNPLIMNW-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=N2)Cl)F)OC(F)(F)F

• Molecular Formula: C8H3ClF4N2O
• Molecular Weight: 254.57

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 253.9870031 g/mol
• Monoisotopic Mass: 253.9870031 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 265