Cas no 860776-85-8 (ethyl 4-chlorocinnoline-3-carboxylate)

Ethyl 4-chlorocinnoline-3-carboxylate is a versatile cinnoline derivative with significant utility in pharmaceutical and agrochemical research. Its chlorinated cinnoline core serves as a key intermediate in the synthesis of biologically active compounds, particularly in the development of heterocyclic scaffolds for medicinal chemistry applications. The ethyl ester group enhances solubility and reactivity, facilitating further functionalization. This compound exhibits stability under standard handling conditions, making it suitable for diverse synthetic pathways. Its structural features enable precise modifications, supporting investigations into novel therapeutic agents or crop protection chemicals. The product is typically supplied with high purity, ensuring reliable performance in research and industrial applications.
ethyl 4-chlorocinnoline-3-carboxylate structure
860776-85-8 structure
Product Name:ethyl 4-chlorocinnoline-3-carboxylate
CAS No:860776-85-8
MF:C11H9ClN2O2
MW:236.654361486435
MDL:MFCD19686425
CID:1119374
PubChem ID:13670516
Update Time:2025-06-20

ethyl 4-chlorocinnoline-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-3-Cinnolinecarboxylic acid ethyl ester
    • ethyl 4-chlorocinnoline-3-carboxylate
    • ethyl4-chlorocinnoline-3-carboxylate
    • SCHEMBL10859897
    • 860776-85-8
    • AKOS015868511
    • EN300-82020
    • Z1233166138
    • G26705
    • MDL: MFCD19686425
    • Inchi: 1S/C11H9ClN2O2/c1-2-16-11(15)10-9(12)7-5-3-4-6-8(7)13-14-10/h3-6H,2H2,1H3
    • InChI Key: IJSRLSPZAHLSHV-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OCC)N=NC2C=CC=CC=21

Computed Properties

  • Exact Mass: 236.035
  • Monoisotopic Mass: 236.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 262
  • 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
  • Topological Polar Surface Area: 52.1A^2
  • XLogP3: 2.4

ethyl 4-chlorocinnoline-3-carboxylate Pricemore >>

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