4-Bromo-5-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1360962204
• CAS: 1360962-20-4
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD22558158

• IUPAC Name: 4-bromo-5-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4BrF3N2/c9-6-4(8(10,11)12)1-2-5-7(6)14-3-13-5/h1-3H,(H,13,14)
• InChI Key: XEYZKFUKCWPZAG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1C(F)(F)F)Br)N=CN2

• Molecular Formula: C8H4BrF3N2
• Molecular Weight: 265.03

• 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