Cas no 138907-81-0 (1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid)

1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid structure
138907-81-0 structure
Product Name:1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CAS No:138907-81-0
MF:C10H7FN2O2
MW:206.173185586929
MDL:MFCD07186399
CID:890368
PubChem ID:3159617
Update Time:2025-04-19

1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(4-FLUORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
    • 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
    • AC1MKMED
    • CTK7C0817
    • SBB014497
    • STK691800
    • SureCN2850367
    • AKOS000191159
    • 1-(4-Fluorophenyl)pyrazole-4-carboxylic acid;1H-pyrazole-4-carboxylic acid, 1-(4-fluorophenyl);
    • 1-(4-fluorophenyl)pyrazole-4-carboxylic acid
    • Z317041810
    • MFCD07186399
    • P19029
    • SCHEMBL2850367
    • 138907-81-0
    • SY112338
    • KS-6879
    • DB-389678
    • CHEMBL4859719
    • 1-(4-Fluorophenyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR
    • 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-
    • DTXSID90390200
    • 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylicacid
    • EN300-198739
    • OSM-S-245
    • CS-0183139
    • MDL: MFCD07186399
    • Inchi: 1S/C10H7FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
    • InChI Key: VHGLETHNIUVDGO-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)N1C=C(C(=O)O)C=N1

Computed Properties

  • Exact Mass: 206.04921
  • Monoisotopic Mass: 206.04915563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 55.1?2

Experimental Properties

  • Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 372.0±22.0 °C at 760 mmHg
  • Flash Point: 178.8±22.3 °C
  • Solubility: Very slightly soluble (0.7 g/l) (25 o C),
  • PSA: 55.12
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid Security Information

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