Cas no 862845-26-9 (Isoquinoline,3-chloro-6,7,8-trimethoxy-)

Isoquinoline,3-chloro-6,7,8-trimethoxy- structure
862845-26-9 structure
Product Name:Isoquinoline,3-chloro-6,7,8-trimethoxy-
CAS No:862845-26-9
MF:C12H12ClNO3
MW:253.681582450867
CID:718447
PubChem ID:76852904
Update Time:2025-04-19

Isoquinoline,3-chloro-6,7,8-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline,3-chloro-6,7,8-trimethoxy-
    • 3-Chloro-6,7,8-trimethoxyisoquinoline
    • 862845-26-9
    • Inchi: 1S/C12H12ClNO3/c1-15-9-4-7-5-10(13)14-6-8(7)11(16-2)12(9)17-3/h4-6H,1-3H3
    • InChI Key: FIWTXGJQUPUTBO-UHFFFAOYSA-N
    • SMILES: ClC1=CC2C=C(C(=C(C=2C=N1)OC)OC)OC

Computed Properties

  • Exact Mass: 253.051
  • Monoisotopic Mass: 253.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 254
  • 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: 40.6A^2
  • XLogP3: 3
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