Cas no 114086-30-5 (3-Bromo-1H-indazole-6-carboxylic acid)

3-Bromo-1H-indazole-6-carboxylic acid is a heterocyclic compound featuring a bromo-substituted indazole core with a carboxylic acid functional group at the 6-position. This structure makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of biologically active molecules. The bromo group offers a reactive site for further functionalization via cross-coupling reactions, while the carboxylic acid enables derivatization into esters, amides, or other derivatives. Its high purity and well-defined reactivity profile make it suitable for research in medicinal chemistry and drug discovery. The compound is typically handled under standard laboratory conditions, with stability under inert atmospheres.
3-Bromo-1H-indazole-6-carboxylic acid structure
114086-30-5 structure
Product Name:3-Bromo-1H-indazole-6-carboxylic acid
CAS No:114086-30-5
MF:C8H5BrN2O2
MW:241.041500806808
MDL:MFCD09263248
CID:106154
PubChem ID:19867566
Update Time:2025-06-07

3-Bromo-1H-indazole-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-1H-indazole-6-carboxylic acid
    • 1H-Indazole-6-carboxylicacid, 3-bromo-
    • 3-Bromo-6-(1H) indazole carboxylic acid
    • 3-Bromo-6-carboxyindazole
    • ACMC-20mjps
    • AG-D-34254
    • CTK0H0532
    • PB14693
    • SureCN9818232
    • 3-BROMO (1H) INDAZOLE CARBOXYLIC ACID
    • 3-BroMo-6-(1H) indazole carboxylic acid
    • CHEMBL4875365
    • 1h-indazole-6-carboxylic acid,3-bromo-
    • CS-0051497
    • BDBM50578101
    • P10712
    • AMY31656
    • 3-bromo-2H-indazole-6-carboxylic acid
    • SCHEMBL9818232
    • PKOJMSAMIIFLSC-UHFFFAOYSA-N
    • DTXSID00600807
    • FT-0735126
    • 3-Bromo-1H-indazole-6-carboxylicacid
    • MFCD09263248
    • EN300-316893
    • AKOS022172004
    • 114086-30-5
    • 3-BROMO(1H)INDAZOLECARBOXYLICACID
    • AS-9376
    • 1H-Indazole-6-carboxylic acid, 3-bromo-
    • DB-060583
    • MDL: MFCD09263248
    • Inchi: 1S/C8H5BrN2O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
    • InChI Key: PKOJMSAMIIFLSC-UHFFFAOYSA-N
    • SMILES: BrC1=C2C=CC(C(=O)O)=CC2=NN1

Computed Properties

  • Exact Mass: 239.95345
  • Monoisotopic Mass: 239.95344g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • 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: 2.1
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • PSA: 65.98

3-Bromo-1H-indazole-6-carboxylic acid Pricemore >>

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