5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole

• Catalog: OFC1381944600
• CAS: 1381944-60-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-bromo-6,7-difluoro-1-methylbenzimidazole
• Purity: >95%
• MDL Number: MFCD22375040

• IUPAC Name: 5-bromo-6,7-difluoro-1-methylbenzimidazole
• InChI: InChI=1S/C8H5BrF2N2/c1-13-3-12-5-2-4(9)6(10)7(11)8(5)13/h2-3H,1H3
• InChI Key: ZGZACHGAOZFXKQ-UHFFFAOYSA-N
• Isomeric SMILES: CN1C=NC2=CC(=C(C(=C21)F)F)Br

• Molecular Formula: C8H5BrF2N2
• Molecular Weight: 247.04

• XLogP3-AA: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 245.96042 g/mol
• Monoisotopic Mass: 245.96042 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205