2-Chloro-5-fluoro-4-(trifluoromethoxy)-1H-1,3-benzimidazole

• Catalog: OFC1805695162
• CAS: 1805695-16-2
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28155002

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