Cas no 138907-82-1 (1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid)

1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid structure
138907-82-1 structure
Product Name:1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CAS No:138907-82-1
MF:C10H7FN2O2
MW:206.173185586929
CID:1011331
PubChem ID:14994495
Update Time:2025-04-20

1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid
    • AKOS010813792
    • 1-(3-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLIC ACID
    • KS-6878
    • BMRRLHHPLUQWMN-UHFFFAOYSA-N
    • Z825723020
    • EN300-6479192
    • 138907-82-1
    • SCHEMBL4796959
    • F84256
    • 1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLICACID
    • MDL： MFCD14690577
    • Inchi： 1S/C10H7FN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
    • InChI Key： BMRRLHHPLUQWMN-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(=C1)N1C=C(C(=O)O)C=N1

Computed Properties

  • Exact Mass: 206.04915563g/mol
  • 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: 250
  • 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

  • Color/Form: NA
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 383.3±22.0 °C at 760 mmHg
  • Flash Point: 196.3±28.7 °C

1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid Security Information

1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid Pricemore >>

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