Cas no 1416713-88-6 (Methyl 3-chloroisoquinoline-6-carboxylate)

Methyl 3-chloroisoquinoline-6-carboxylate structure
1416713-88-6 structure
Product Name:Methyl 3-chloroisoquinoline-6-carboxylate
CAS No:1416713-88-6
MF:C11H8ClNO2
MW:221.639721870422
MDL:MFCD22689680
CID:1313737
PubChem ID:75412037
Update Time:2025-04-20

Methyl 3-chloroisoquinoline-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 3-chloroisoquinoline-6-carboxylate
    • MFCD22689680
    • 1416713-88-6
    • SCHEMBL15553325
    • 3-Chloro-6-(methoxycarbonyl)isoquinoline, 3-Chloro-6-(methoxycarbonyl)-2-azanaphthalene
    • CS-0334173
    • DA-32703
    • Methyl3-chloroisoquinoline-6-carboxylate
    • Methyl 3-chloroisoquinoline-6-carboxylate
    • MDL: MFCD22689680
    • Inchi: 1S/C11H8ClNO2/c1-15-11(14)7-2-3-8-6-13-10(12)5-9(8)4-7/h2-6H,1H3
    • InChI Key: AKHJPIMMDUTXAC-UHFFFAOYSA-N
    • SMILES: ClC1=CC2C=C(C(=O)OC)C=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-6-carboxylate Pricemore >>

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