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

• Catalog: OFC914637517
• CAS: 914637-51-7
• Category: Fluorinated Benzimidazoles
• Synonyms: 6-bromo-4-(trifluoromethyl)-1H-1,3-benzodiazole
• Purity: 97%
• MDL Number: MFCD08741395

• IUPAC Name: 6-bromo-4-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4BrF3N2/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H,(H,13,14)
• InChI Key: SLVHWGQGUCBGGP-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C2C(=C1C(F)(F)F)N=CN2)Br
• EC Number: 812-199-9

• Molecular Formula: C8H4BrF3N2
• Molecular Weight: 265.03
• Melting Point: 235-240 °C

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 263.95100 g/mol
• Monoisotopic Mass: 263.95100 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 221