Cas no 18745-17-0 (4-bromo-1h-pyrazole-5-carboxylic Acid)

4-bromo-1h-pyrazole-5-carboxylic Acid structure
18745-17-0 structure
Product Name:4-bromo-1h-pyrazole-5-carboxylic Acid
CAS No:18745-17-0
MF:C4H3BrN2O2
MW:190.982819795609
CID:1379433
PubChem ID:1242246
Update Time:2025-04-20

4-bromo-1h-pyrazole-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-1h-pyrazole-5-carboxylic Acid
    • 4-BROMO PYRAZOLE-3-CARBOXYLIC ACID
    • AKOS000521048
    • 4-bromo-1 h-pyrazole-3-carboxylic acid
    • MFCD01459882
    • ALBB-003736
    • W-205501
    • AKOS000307943
    • 13745-17-0
    • 4-Bromo-2H-pyrazole-3-carboxylic acid
    • FS-1867
    • 1h-pyrazole-3-carboxylic acid, 4-bromo-
    • SCHEMBL1020837
    • 1092683-57-2
    • CS-W002776
    • STK298734
    • SY002455
    • AMY41335
    • DB-316258
    • DTXSID20929800
    • EN300-151881
    • AMY6478
    • 4-Bromo-1H-pyrazole-3-carboxylic acid, AldrichCPR
    • 4-bromopyrazole-3-carboxylic acid
    • 18745-17-0
    • PB47578
    • MFCD00463984
    • DS-3138
    • A2959
    • DB-032325
    • 4-bromopyrazolecarboxylic
    • 4-bromo-1H-pyrazole-3-carboxylic acid
    • QISOBCMNUJQOJU-UHFFFAOYSA-N
    • 4-bromo-1H-pyrazole-3-carboxylic-acid
    • Inchi: 1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
    • InChI Key: QISOBCMNUJQOJU-UHFFFAOYSA-N
    • SMILES: BrC1C=NNC=1C(=O)O

Computed Properties

  • Exact Mass: 189.938
  • Monoisotopic Mass: 189.938
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 130
  • 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
  • Topological Polar Surface Area: 66A^2
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.781
  • Boiling Point: 318°C at 760 mmHg
  • Flash Point: 146.1°C
  • Refractive Index: 1.579
  • PSA: 65.98000
  • LogP: 0.87040
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