6-Bromo-2,4-bis(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC185412811
• CAS: 185412-81-1
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154957

• IUPAC Name: 6-bromo-2,4-bis(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H3BrF6N2/c10-3-1-4(8(11,12)13)6-5(2-3)17-7(18-6)9(14,15)16/h1-2H,(H,17,18)
• InChI Key: JITJNSRKMZGWMW-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C2C(=C1C(F)(F)F)N=C(N2)C(F)(F)F)Br

• Molecular Formula: C9H3BrF6N2
• Molecular Weight: 333.03

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 331.93838 g/mol
• Monoisotopic Mass: 331.93838 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 317