4-Bromo-2-chloro-6-(trifluoromethoxy)-1H-1,3-benzimidazole

• Catalog: OFC1253415869
• CAS: 1253415-86-9
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154994

• IUPAC Name: 4-bromo-2-chloro-6-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H3BrClF3N2O/c9-4-1-3(16-8(11,12)13)2-5-6(4)15-7(10)14-5/h1-2H,(H,14,15)
• InChI Key: VVCBOESPZYLLRB-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=N2)Cl)Br)OC(F)(F)F

• 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