4-Bromo-2-chloro-7-(trifluoromethoxy)-1H-1,3-benzimidazole

• Catalog: OFC1804185838
• CAS: 1804185-83-8
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154995

• IUPAC Name: 4-bromo-2-chloro-7-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H3BrClF3N2O/c9-3-1-2-4(16-8(11,12)13)6-5(3)14-7(10)15-6/h1-2H,(H,14,15)
• InChI Key: RJMGWWSYVVFMQN-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1OC(F)(F)F)NC(=N2)Cl)Br

• Molecular Formula: C8H3BrClF3N2O
• Molecular Weight: 315.47

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 313.90694 g/mol
• Monoisotopic Mass: 313.90694 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 268