Cas no 1260642-58-7 (Methyl 3-chloroisoquinoline-4-carboxylate)

Methyl 3-chloroisoquinoline-4-carboxylate structure
1260642-58-7 structure
Product Name:Methyl 3-chloroisoquinoline-4-carboxylate
CAS No:1260642-58-7
MF:C11H8ClNO2
MW:221.639721870422
CID:1081724
PubChem ID:71748466
Update Time:2025-04-20

Methyl 3-chloroisoquinoline-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-chloroisoquinoline-4-carboxylate
    • 1260642-58-7
    • DTXSID10857567
    • Methyl3-chloroisoquinoline-4-carboxylate
    • Inchi: 1S/C11H8ClNO2/c1-15-11(14)9-8-5-3-2-4-7(8)6-13-10(9)12/h2-6H,1H3
    • InChI Key: DCQIYLQWJRJJPP-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OC)C2C=CC=CC=2C=N1

Computed Properties

  • Exact Mass: 221.0243562g/mol
  • Monoisotopic Mass: 221.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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: 2.9
  • Topological Polar Surface Area: 39.2?2

Methyl 3-chloroisoquinoline-4-carboxylate Pricemore >>

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