Cas no 497833-02-0 (2-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid)

2-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid structure
497833-02-0 structure
Product Name:2-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid
CAS No:497833-02-0
MF:C6H5F3N2O2
MW:194.111311674118
MDL:MFCD20656813
CID:1531699
PubChem ID:11127131
Update Time:2025-04-21

2-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-1-acetic acid, 5-(trifluoromethyl)-
    • 2-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid
    • 5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
    • 497833-02-0
    • EN300-2916123
    • 2-[5-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
    • 2-(5-(Trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
    • DTXSID601251456
    • AKOS023573990
    • MDL: MFCD20656813
    • Inchi: 1S/C6H5F3N2O2/c7-6(8,9)4-1-2-10-11(4)3-5(12)13/h1-2H,3H2,(H,12,13)
    • InChI Key: LLYFBVOGPOUFBC-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=NN1CC(=O)O)(F)F

Computed Properties

  • Exact Mass: 194.03035
  • Monoisotopic Mass: 194.03031189g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • 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: 0.8
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

2-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid Pricemore >>

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