Cas no 98534-71-5 (Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate)

Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate structure
98534-71-5 structure
Product Name:Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate
CAS No:98534-71-5
MF:C12H11BrN2O2
MW:295.131942033768
MDL:MFCD01126874
CID:94842
PubChem ID:13802165
Update Time:2025-04-19

Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate
    • 5-Bromo-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
    • ethyl 5-bromo-1-phenylpyrazole-4-carboxylate
    • DTXSID20549901
    • 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-phenyl-, ethyl ester
    • CS-0061540
    • YDA53471
    • 5-bromo-1-phenyl-1H-pyrazole-4-carboxylic acid, ethyl ester
    • AKOS015908780
    • AS-71234
    • SCHEMBL5069717
    • F17249
    • JLHHULMEYIHSNI-UHFFFAOYSA-N
    • FT-0757477
    • AMY11927
    • 98534-71-5
    • ethyl5-bromo-1-phenyl-1H-pyrazole-4-carboxylate
    • J-521114
    • DB-080543
    • DTXCID90500685
    • MDL： MFCD01126874
    • Inchi： 1S/C12H11BrN2O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
    • InChI Key： JLHHULMEYIHSNI-UHFFFAOYSA-N
    • SMILES： BrC1=C(C(=O)OCC)C=NN1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 294.00039g/mol
  • Monoisotopic Mass: 294.00039g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 269
  • 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: 3.1
  • Topological Polar Surface Area: 44.1?2

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