Cas no 866588-11-6 (Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate)

Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate structure
866588-11-6 structure
Product Name:Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate
CAS No:866588-11-6
MF:C12H11FN2O2
MW:234.226346254349
MDL:MFCD08445938
CID:718886
PubChem ID:583549
Update Time:2025-04-19

Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 3-(4-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
    • Ethyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
    • Z380486592
    • 2-(4-Fluoro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
    • ETHYL3-(4-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE
    • AKOS005265233
    • Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
    • Ethyl 5-[p-fluorophenyl]pyrazole-3-carboxylate
    • AS-71006
    • AKOS005265211
    • MFCD18118477
    • CS-0037615
    • AMY27600
    • 866588-11-6
    • Ethyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate, AldrichCPR
    • DTXSID70342646
    • Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate #
    • SCHEMBL2824803
    • DB-124806
    • Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate
    • MDL： MFCD08445938
    • Inchi： 1S/C12H11FN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15)
    • InChI Key： XYKNUKFAXFVJRH-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=CC=1)C1C=C(C(=O)OCC)NN=1

Computed Properties

  • Exact Mass: 234.08000
  • Monoisotopic Mass: 234.08045576g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 267
  • 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: 2.5
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.266
  • Boiling Point: 424.2°C at 760 mmHg
  • Flash Point: 210.3°C
  • Refractive Index: 1.559
  • PSA: 54.98000
  • LogP: 2.39250

Ethyl 3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylate Pricemore >>

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