Cas no 1256353-08-8 (Ethyl 1-chloroisoquinoline-3-carboxylate)

Ethyl 1-chloroisoquinoline-3-carboxylate structure
1256353-08-8 structure
Product Name:Ethyl 1-chloroisoquinoline-3-carboxylate
CAS No:1256353-08-8
MF:C12H10ClNO2
MW:235.666302204132
CID:1082011
PubChem ID:60768744
Update Time:2025-04-20

Ethyl 1-chloroisoquinoline-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-chloroisoquinoline-3-carboxylate
    • 3-Isoquinolinecarboxylic acid, 1-chloro-, ethyl ester
    • SCHEMBL162887
    • CS-0443314
    • J-520531
    • GXEXRFKWVZFFHB-UHFFFAOYSA-N
    • DB-360307
    • Z418087878
    • EN300-120249
    • Ethyl1-chloroisoquinoline-3-carboxylate
    • 1256353-08-8
    • AKOS009470755
    • DTXSID90734009
    • Inchi: 1S/C12H10ClNO2/c1-2-16-12(15)10-7-8-5-3-4-6-9(8)11(13)14-10/h3-7H,2H2,1H3
    • InChI Key: GXEXRFKWVZFFHB-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=CC=CC2=CC(C(=O)OCC)=N1

Computed Properties

  • Exact Mass: 235.0400063g/mol
  • Monoisotopic Mass: 235.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 3.6
  • Topological Polar Surface Area: 39.2?2

Ethyl 1-chloroisoquinoline-3-carboxylate Pricemore >>

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