Cas no 887779-45-5 (5,6-difluoro-1H-1,3-benzodiazole-2-carboxylic acid)

5,6-difluoro-1H-1,3-benzodiazole-2-carboxylic acid structure
887779-45-5 structure
Product Name:5,6-difluoro-1H-1,3-benzodiazole-2-carboxylic acid
CAS No:887779-45-5
MF:C8H4F2N2O2
MW:198.126368522644
CID:1120536
PubChem ID:45480311
Update Time:2025-04-20

5,6-difluoro-1H-1,3-benzodiazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5,6-difluoro-1H-Benzimidazole-2-carboxylic acid
    • 5,6-difluoro-1H-1,3-benzodiazole-2-carboxylic acid
    • 5,6-Difluorobenzimidazole-2-carboxylic Acid
    • AT11082
    • SY351962
    • SCHEMBL3423120
    • 887779-45-5
    • 5,6-Difluoro-1H-benzo[d]imidazole-2-carboxylic acid
    • MFCD19105176
    • Inchi： 1S/C8H4F2N2O2/c9-3-1-5-6(2-4(3)10)12-7(11-5)8(13)14/h1-2H,(H,11,12)(H,13,14)
    • InChI Key： VVCCUBBNXURKEE-UHFFFAOYSA-N
    • SMILES： FC1C(=CC2=C(C=1)NC(C(=O)O)=N2)F

Computed Properties

  • Exact Mass: 198.02408370g/mol
  • Monoisotopic Mass: 198.02408370g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 66?2

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