5-Bromo-1-tert-butyl-6-fluoro-2-methyl-1,3-benzodiazole

• Catalog: OFC1403483760
• CAS: 1403483-76-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-bromo-1-tert-butyl-6-fluoro-2-methylbenzimidazole
• Purity: >95%
• MDL Number: MFCD22549323

• IUPAC Name: 5-bromo-1-tert-butyl-6-fluoro-2-methylbenzimidazole
• InChI: InChI=1S/C12H14BrFN2/c1-7-15-10-5-8(13)9(14)6-11(10)16(7)12(2,3)4/h5-6H,1-4H3
• InChI Key: UHWRDBXXHXZZBG-UHFFFAOYSA-N
• Isomeric SMILES: CC1=NC2=CC(=C(C=C2N1C(C)(C)C)F)Br

• Molecular Formula: C12H14BrFN2
• Molecular Weight: 285.16

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 284.03244 g/mol
• Monoisotopic Mass: 284.03244 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 266