Cas no 57147-50-9 (Isoquinoline, 3,4-dihydro-, perchlorate)

Isoquinoline, 3,4-dihydro-, perchlorate structure
57147-50-9 structure
Product Name:Isoquinoline, 3,4-dihydro-, perchlorate
CAS No:57147-50-9
MF:C9H10ClNO4
MW:231.633001804352
CID:346364
PubChem ID:71444304
Update Time:2025-04-19

Isoquinoline, 3,4-dihydro-, perchlorate Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 3,4-dihydro-, perchlorate
    • 3,4-dihydroisoquinoline,perchloric acid
    • DTXSID00853093
    • 57147-50-9
    • Perchloric acid--3,4-dihydroisoquinoline (1/1)
    • Inchi: 1S/C9H9N.ClHO4/c1-2-4-9-7-10-6-5-8(9)3-1;2-1(3,4)5/h1-4,7H,5-6H2;2H
    • InChI Key: ITRIORHNZINUCL-UHFFFAOYSA-N
    • SMILES: [Cl+3]([O-])([O-])([O-])O.N1=CC2C=CC=CC=2CC1

Computed Properties

  • Exact Mass: 231.0299
  • Monoisotopic Mass: 231.0298355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 254
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • PSA: 83.8
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