Cas no 923283-70-9 (1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester)

1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester structure
923283-70-9 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester
CAS No:923283-70-9
MF:C6H6ClN3O4
MW:219.582540035248
CID:737846
PubChem ID:68372777
Update Time:2025-04-19

1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester
    • 2-chloroethyl 4-nitro-1H-pyrazole-5-carboxylate
    • 923283-70-9
    • SCHEMBL12763866
    • 1H-Pyrazole-3-carboxylicacid,4-nitro-,2-chloroethylester
    • DTXSID90738264
    • Inchi: 1S/C6H6ClN3O4/c7-1-2-14-6(11)5-4(10(12)13)3-8-9-5/h3H,1-2H2,(H,8,9)
    • InChI Key: PRIMHRBAKUUETM-UHFFFAOYSA-N
    • SMILES: ClCCOC(C1=C(C=NN1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 219.0046834g/mol
  • Monoisotopic Mass: 219.0046834g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 232
  • 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: 101?2
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