Cas no 87848-14-4 (5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, ethyl ester)

5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, ethyl ester structure
87848-14-4 structure
Product Name:5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, ethyl ester
CAS No:87848-14-4
MF:C7H5Cl3N2O2
MW:255.485798597336
CID:651523
PubChem ID:21559811
Update Time:2024-10-26

5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, ethyl ester
    • ethyl 2,4,6-trichloropyrimidine-5-carboxylate
    • 2,4,6-Trichloro-5-pyrimidinecarboxylic acid ethyl ester
    • AC-25280
    • 87848-14-4
    • SB59134
    • G88616
    • DTXSID10615861
    • ethyl2,4,6-trichloropyrimidine-5-carboxylate
    • AKOS025401757
    • DB-360365
    • Inchi: 1S/C7H5Cl3N2O2/c1-2-14-6(13)3-4(8)11-7(10)12-5(3)9/h2H2,1H3
    • InChI Key: JKMWTSMRYUNCAK-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=NC(Cl)=NC=1Cl)OCC

Computed Properties

  • Exact Mass: 253.941660g/mol
  • Monoisotopic Mass: 253.941660g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 205
  • 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: 3.3
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Density: 1.537

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5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, ethyl ester Related Literature

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