7-Bromo-5-fluoro-6-(trifluoromethoxy)-1H-benzimidazole

• Catalog: OFC2091436518
• CAS: 2091436-51-8
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28096589

• IUPAC Name: 4-bromo-6-fluoro-5-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H3BrF4N2O/c9-5-6-4(14-2-15-6)1-3(10)7(5)16-8(11,12)13/h1-2H,(H,14,15)
• InChI Key: PXPSFHDMLZSIJE-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=C(C(=C1F)OC(F)(F)F)Br)N=CN2

• Molecular Formula: C8H3BrF4N2O
• Molecular Weight: 299.02

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 297.93649 g/mol
• Monoisotopic Mass: 297.93649 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 265