Cas no 1006340-71-1 (1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid)

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid structure
1006340-71-1 structure
Product Name:1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid
CAS No:1006340-71-1
MF:C6H5F3N2O2
MW:194.111311674118
MDL:MFCD08556230
CID:3058879
PubChem ID:19614649
Update Time:2025-04-21

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid
    • SCHEMBL2214930
    • 2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
    • BBL039662
    • STK349079
    • ALBB-037142
    • AKOS000308151
    • 1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylicacid
    • AYCDWZAEGMKZNB-UHFFFAOYSA-N
    • DS-019654
    • MFCD08556230
    • D83354
    • 1006340-71-1
    • EN300-119452
    • KS-9201
    • 842-297-7
    • GQB34071
    • MDL： MFCD08556230
    • Inchi： 1S/C6H5F3N2O2/c7-6(8,9)3-11-4(5(12)13)1-2-10-11/h1-2H,3H2,(H,12,13)
    • InChI Key： AYCDWZAEGMKZNB-UHFFFAOYSA-N
    • SMILES： FC(CN1C(C(=O)O)=CC=N1)(F)F

Computed Properties

  • Exact Mass: 194.03031189g/mol
  • Monoisotopic Mass: 194.03031189g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 207
  • 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: 1.1
  • Topological Polar Surface Area: 55.1?2

1-(2,2,2-Trifluoroethyl)-1H-pyrazole-5-carboxylic acid Pricemore >>

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