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

• Catalog: OFC1803902320
• CAS: 1803902-32-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Bromo-2-chloro-5-trifluoromethyl-1H-benzimidazole
• MDL Number: MFCD28154989

• IUPAC Name: 4-bromo-2-chloro-5-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H3BrClF3N2/c9-5-3(8(11,12)13)1-2-4-6(5)15-7(10)14-4/h1-2H,(H,14,15)
• InChI Key: PEGAYPNDTWHRCG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1C(F)(F)F)Br)N=C(N2)Cl

• Molecular Formula: C8H3BrClF3N2
• Molecular Weight: 299.48

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 297.91202 g/mol
• Monoisotopic Mass: 297.91202 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 251