Cas no 2092336-57-5 (1-(2-Methoxyethyl)-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid)

1-(2-Methoxyethyl)-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid structure
2092336-57-5 structure
Product Name:1-(2-Methoxyethyl)-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid
CAS No:2092336-57-5
MF:C8H9F3N2O3
MW:238.163872480392
CID:5704222
PubChem ID:124926695
Update Time:2023-10-15

1-(2-Methoxyethyl)-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • KS-9237
    • EN300-801011
    • 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
    • 2092336-57-5
    • 1-(2-Methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylicacid
    • 1-(2-Methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
    • AKOS037654212
    • 1H-Pyrazole-3-carboxylic acid, 1-(2-methoxyethyl)-5-(trifluoromethyl)-
    • 1-(2-Methoxyethyl)-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid
    • Inchi: 1S/C8H9F3N2O3/c1-16-3-2-13-6(8(9,10)11)4-5(12-13)7(14)15/h4H,2-3H2,1H3,(H,14,15)
    • InChI Key: KSUPDAYBQXYNNA-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(C(=O)O)=NN1CCOC)(F)F

Computed Properties

  • Exact Mass: 238.05652664g/mol
  • Monoisotopic Mass: 238.05652664g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 259
  • 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: 0.8
  • Topological Polar Surface Area: 64.4?2

Experimental Properties

  • Density: 1.46±0.1 g/cm3(Predicted)
  • Boiling Point: 332.4±42.0 °C(Predicted)
  • pka: 3.58±0.10(Predicted)

1-(2-Methoxyethyl)-5-(trifluoromethyl)-1h-pyrazole-3-carboxylic acid Pricemore >>

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