Cas no 2229392-07-6 (2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid)

2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid structure
2229392-07-6 structure
Product Name:2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid
CAS No:2229392-07-6
MF:C7H4ClF3N2O3
MW:256.566471099854
CID:5798257
PubChem ID:165861351
Update Time:2025-09-21

2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid
    • 2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-oxoacetic acid
    • EN300-1960686
    • 2229392-07-6
    • Inchi： 1S/C7H4ClF3N2O3/c1-13-5(8)2(3(14)6(15)16)4(12-13)7(9,10)11/h1H3,(H,15,16)
    • InChI Key： GKMKVSRUSHJZKG-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(C(=O)O)=O)C(C(F)(F)F)=NN1C

Computed Properties

  • Exact Mass: 255.9862542g/mol
  • Monoisotopic Mass: 255.9862542g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 323
  • 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: 72.2?2

2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid Pricemore >>

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2-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl-2-oxoacetic acid Related Literature

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