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

• Catalog: OFC1803902262
• CAS: 1803902-26-2
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154997

• IUPAC Name: 6-bromo-2-chloro-5-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H3BrClF3N2O/c9-3-1-4-5(15-7(10)14-4)2-6(3)16-8(11,12)13/h1-2H,(H,14,15)
• InChI Key: ZPYKPSJWRZSAEY-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1Br)OC(F)(F)F)N=C(N2)Cl

• 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