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

• Catalog: OFC1803902193
• CAS: 1803902-19-3
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154993

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