Cas no 128694-71-3 (4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid)

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid structure
128694-71-3 structure
Product Name:4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CAS No:128694-71-3
MF:C6H4ClF3N2O2
MW:228.556370735168
MDL:MFCD03419669
CID:1088302
PubChem ID:7018461
Update Time:2025-09-25

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
    • 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
    • 4-chloro-3-trifluoromethyl-1-methylpyrazole-5-carboxylic acid
    • 4-Chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
    • SCHEMBL8304642
    • AKOS000308102
    • 4-chloro-2-methyl-5-trifluoromethyl-2 h-pyrazole-3-carboxylic acid
    • JXWXOYNVUAWUIW-UHFFFAOYSA-N
    • DTXSID201160908
    • BS-37299
    • CS-0300505
    • 4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylicacid
    • STK312369
    • 4-Chloro-2-methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid
    • MFCD03419669
    • EN300-83588
    • BBL038649
    • 128694-71-3
    • DB-153667
    • MDL: MFCD03419669
    • Inchi: 1S/C6H4ClF3N2O2/c1-12-3(5(13)14)2(7)4(11-12)6(8,9)10/h1H3,(H,13,14)
    • InChI Key: JXWXOYNVUAWUIW-UHFFFAOYSA-N
    • SMILES: ClC1C(C(F)(F)F)=NN(C)C=1C(=O)O

Computed Properties

  • Exact Mass: 227.9913396g/mol
  • Monoisotopic Mass: 227.9913396g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 248
  • 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: 1.6
  • Topological Polar Surface Area: 55.1?2

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Security Information

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid Pricemore >>

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