Cas no 885523-11-5 (4,6-Difluoro-1H-indazole-3-carboxylic acid)

4,6-Difluoro-1H-indazole-3-carboxylic acid structure
885523-11-5 structure
Product Name:4,6-Difluoro-1H-indazole-3-carboxylic acid
CAS No:885523-11-5
MF:C8H4F2N2O2
MW:198.126368522644
MDL:MFCD07781986
CID:840813
PubChem ID:24728839
Update Time:2024-12-09

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

Names and Identifiers

    • 4,6-Difluoro-1H-indazole-3-carboxylic acid
    • 4,6-Difluoro-1H-indazole-3-carboxylic acid (ACI)
    • AKOS006284684
    • ZB1213
    • DB-348945
    • P10517
    • AS-50537
    • 885523-11-5
    • SY343652
    • CS-0029880
    • 4,6-DIFLUORO-1H-INDAZOLE-3-CARBOXYLICACID
    • 4,6-Difluoro-(1H)indazole-3-carboxylic acid
    • SCHEMBL23858844
    • PB20217
    • MFCD07781986
    • MDL： MFCD07781986
    • Inchi： 1S/C8H4F2N2O2/c9-3-1-4(10)6-5(2-3)11-12-7(6)8(13)14/h1-2H,(H,11,12)(H,13,14)
    • InChI Key： HCSZUYDARDRVGC-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=CC(=CC=2F)F)NN=1)O

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: 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: 1.6
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.707±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.14 g/l) (25 o C),

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

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