Cas no 1174308-83-8 (5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid)

5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid structure
1174308-83-8 structure
Product Name:5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:1174308-83-8
MF:C6H6F2N2O2
MW:176.120848178864
MDL:MFCD10700224
CID:4575095
PubChem ID:28950654
Update Time:2025-09-27

5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid
    • MFCD10700224
    • 5-(difluoromethyl)-1-methylpyrazole-3-carboxylic acid
    • 1H-Pyrazole-3-carboxylic acid, 5-(difluoromethyl)-1-methyl-
    • 5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid
    • MDL: MFCD10700224
    • Inchi: 1S/C6H6F2N2O2/c1-10-4(5(7)8)2-3(9-10)6(11)12/h2,5H,1H3,(H,11,12)
    • InChI Key: XJZOYEUCGIXABG-UHFFFAOYSA-N
    • SMILES: N1(C)C(C(F)F)=CC(C(O)=O)=N1

Computed Properties

  • Exact Mass: 176.03973376g/mol
  • Monoisotopic Mass: 176.03973376g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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: 0.7
  • Topological Polar Surface Area: 55.1?2

5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid Pricemore >>

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abcr
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€313.80 2023-01-21
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