Cas no 512810-20-7 (4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid)

4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid structure
512810-20-7 structure
Product Name:4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid
CAS No:512810-20-7
MF:C6H7ClN2O2
MW:174.584980249405
MDL:MFCD02090840
CID:1078446
PubChem ID:589820
Update Time:2025-04-20

4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid
    • AC1LBVPN
    • ALBB-006945
    • CTK4J3961
    • SBB010571
    • SureCN1973791
    • DA-39754
    • BBL038227
    • DTXSID90343458
    • 512810-20-7
    • 4-Chloro-1-ethyl-pyrazole-3-carboxylic acid
    • STK348645
    • 4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid, AldrichCPR
    • A854015
    • 4-Chloro-1-ethyl-1H-pyrazole-3-carboxylicacid
    • MFCD02090840
    • EN300-83475
    • Z275128626
    • F2169-0897
    • AKOS000265229
    • RS-0250
    • CS-0217725
    • SCHEMBL1973791
    • 4-chloro-1-ethylpyrazole-3-carboxylic acid
    • Pyrazole-3-carboxylic acid, 4-chloro-1-ethyl-
    • 4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid #
    • F30594
    • MDL： MFCD02090840
    • Inchi： 1S/C6H7ClN2O2/c1-2-9-3-4(7)5(8-9)6(10)11/h3H,2H2,1H3,(H,10,11)
    • InChI Key： ABUPYBBLLDSUMF-UHFFFAOYSA-N
    • SMILES： ClC1C(C(=O)O)=NN(C=1)CC

Computed Properties

  • Exact Mass: 174.01971
  • Monoisotopic Mass: 174.0196052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid Security Information

4-Chloro-1-ethyl-1H-pyrazole-3-carboxylic acid Pricemore >>

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