4-Bromo-6-(trifluoromethoxy)-1H-benzimidazole

• Catalog: OFC1804265539
• CAS: 1804265-53-9
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154929

• IUPAC Name: 4-bromo-6-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H4BrF3N2O/c9-5-1-4(15-8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
• InChI Key: DQFUHRMNLWHJJM-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC=N2)Br)OC(F)(F)F

• Molecular Formula: C8H4BrF3N2O
• Molecular Weight: 281.03

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 279.94591 g/mol
• Monoisotopic Mass: 279.94591 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 238