Cas no 1246441-85-9 (Methyl 8-chloroisoquinoline-5-carboxylate)

Methyl 8-chloroisoquinoline-5-carboxylate structure
1246441-85-9 structure
Product Name:Methyl 8-chloroisoquinoline-5-carboxylate
CAS No:1246441-85-9
MF:C11H8ClNO2
MW:221.639721870422
CID:1083806
PubChem ID:72699133
Update Time:2025-04-20

Methyl 8-chloroisoquinoline-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 8-chloroisoquinoline-5-carboxylate
    • DB-360861
    • 1246441-85-9
    • MDL: MFCD17214300
    • Inchi: 1S/C11H8ClNO2/c1-15-11(14)8-2-3-10(12)9-6-13-5-4-7(8)9/h2-6H,1H3
    • InChI Key: XCDUZSPXTWCMCH-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)OC)C2C=CN=CC=21

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: 2.6
  • Topological Polar Surface Area: 39.2?2
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