Cas no 1245101-31-8 (Ethyl 5-chloro-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 5-chloro-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate structure
1245101-31-8 structure
Product Name:Ethyl 5-chloro-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
CAS No:1245101-31-8
MF:C12H10ClFN2O2
MW:268.671405315399
CID:1089201
PubChem ID:53429367
Update Time:2025-04-20

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

Names and Identifiers

    • Ethyl 5-chloro-1-(3-fluorophenyl)-1H-pyrazole-4-carboxylate
    • 5-chloro-1-(3-fluorophenyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
    • ethyl 5-chloro-1-(3-fluorophenyl)pyrazole-4-carboxylate
    • DTXSID00700134
    • DB-062259
    • 1245101-31-8
    • AKOS022172642
    • 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(3-fluorophenyl)-, ethyl ester
    • ETHYL5-CHLORO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
    • Inchi： 1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-4-8(14)6-9/h3-7H,2H2,1H3
    • InChI Key： MLAHQIOGTWZZRN-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=O)OCC)C=NN1C1C=CC=C(C=1)F

Computed Properties

  • Exact Mass: 268.0414834g/mol
  • Monoisotopic Mass: 268.0414834g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 306
  • 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: 3.2
  • Topological Polar Surface Area: 44.1?2

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