5-Bromo-1-t-butyl-6,7-difluorobenzimidazole

• Catalog: OFC1375069116
• CAS: 1375069-11-6
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-bromo-1-tert-butyl-6,7-difluoro-1H-1,3-benzodiazole
• Purity: >95%
• MDL Number: MFCD22205779

• IUPAC Name: 5-bromo-1-tert-butyl-6,7-difluorobenzimidazole
• InChI: InChI=1S/C11H11BrF2N2/c1-11(2,3)16-5-15-7-4-6(12)8(13)9(14)10(7)16/h4-5H,1-3H3
• InChI Key: HLRTWXIBWGNBKD-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)N1C=NC2=CC(=C(C(=C21)F)F)Br

• Molecular Formula: C11H11BrF2N2
• Molecular Weight: 289.12

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 288.00737 g/mol
• Monoisotopic Mass: 288.00737 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269