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

• Catalog: OFC1381944406
• CAS: 1381944-40-6
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-bromo-1-ethyl-6,7-difluorobenzimidazole
• Purity: >95%
• MDL Number: MFCD22375042

• IUPAC Name: 5-bromo-1-ethyl-6,7-difluorobenzimidazole
• InChI: InChI=1S/C9H7BrF2N2/c1-2-14-4-13-6-3-5(10)7(11)8(12)9(6)14/h3-4H,2H2,1H3
• InChI Key: IUXKNXOTLBNUQE-UHFFFAOYSA-N
• Isomeric SMILES: CCN1C=NC2=CC(=C(C(=C21)F)F)Br

• Molecular Formula: C9H7BrF2N2
• Molecular Weight: 261.07

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.97607 g/mol
• Monoisotopic Mass: 259.97607 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 217