Cas no 885523-51-3 (3,4-Dibromo-1H-indazole-6-carboxylic acid)

3,4-Dibromo-1H-indazole-6-carboxylic acid is a brominated indazole derivative with a carboxylic acid functional group at the 6-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The presence of bromine substituents at the 3- and 4-positions enhances its reactivity, making it valuable for further functionalization via cross-coupling or nucleophilic substitution reactions. The carboxylic acid group allows for additional derivatization, such as amide or ester formation. Its well-defined structure and high purity make it suitable for applications in medicinal chemistry, where it may be used to develop bioactive molecules or as a scaffold for heterocyclic synthesis.
3,4-Dibromo-1H-indazole-6-carboxylic acid structure
885523-51-3 structure
Product Name:3,4-Dibromo-1H-indazole-6-carboxylic acid
CAS No:885523-51-3
MF:C8H4Br2N2O2
MW:319.937560081482
CID:840773
PubChem ID:24728404
Update Time:2025-05-27

3,4-Dibromo-1H-indazole-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4-Dibromo-1H-indazole-6-carboxylic acid
    • 3,4-Dibromo-6-(1H)indazole carboxylic acid
    • 3,4-dibromo-2H-indazole-6-carboxylic acid
    • DTXSID10646397
    • 3,4-Dibromo-1H-indazole-6-carboxylicacid
    • AKOS016004172
    • 885523-51-3
    • DB-339006
    • MDL： MFCD07781802
    • Inchi： 1S/C8H4Br2N2O2/c9-4-1-3(8(13)14)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)(H,13,14)
    • InChI Key： KXYVNSZNNNVOPT-UHFFFAOYSA-N
    • SMILES： BrC1=CC(C(=O)O)=CC2C1=C(NN=2)Br

Computed Properties

  • Exact Mass: 319.86190g/mol
  • Monoisotopic Mass: 317.86395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • 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: 2.8
  • Topological Polar Surface Area: 66?2

3,4-Dibromo-1H-indazole-6-carboxylic acid Pricemore >>

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