Cas no 956950-98-4 (2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid)

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid structure
956950-98-4 structure
Product Name:2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CAS No:956950-98-4
MF:C8H11ClN2O2
MW:202.638140916824
MDL:MFCD04969783
CID:3056942
PubChem ID:16394833
Update Time:2025-04-21

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
    • CS-0262778
    • 4-Chloro-I+/-,3,5-trimethyl-1H-pyrazole-1-acetic acid
    • MFCD04969783
    • AKOS000309880
    • VS-09721
    • EN300-83708
    • Z959363170
    • 2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-propionic acid
    • GNB95098
    • 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoicacid
    • BBL030289
    • STK312303
    • 956950-98-4
    • 4-Chloro-alpha,3,5-trimethyl-1H-pyrazole-1-acetic acid
    • DTXSID601230337
    • 2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoic acid
    • MDL： MFCD04969783
    • Inchi： 1S/C8H11ClN2O2/c1-4-7(9)5(2)11(10-4)6(3)8(12)13/h6H,1-3H3,(H,12,13)
    • InChI Key： ZFBIVBZRAMXENI-UHFFFAOYSA-N
    • SMILES： ClC1C(C)=NN(C=1C)C(C(=O)O)C

Computed Properties

  • Exact Mass: 202.0509053Da
  • Monoisotopic Mass: 202.0509053Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 55.1?2

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid Pricemore >>

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