Cas no 2423-68-9 (Quinoline, 2-chloro-, 1-oxide)

Quinoline, 2-chloro-, 1-oxide structure
Quinoline, 2-chloro-, 1-oxide structure
Product Name:Quinoline, 2-chloro-, 1-oxide
CAS No:2423-68-9
MF:C9H6ClNO
MW:179.603041172028
CID:1416887
PubChem ID:12245212
Update Time:2025-04-20

Quinoline, 2-chloro-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Quinoline, 2-chloro-, 1-oxide
    • 2-chloro-1-oxidoquinolin-1-ium
    • 2423-68-9
    • SCHEMBL11710301
    • 2-chloro-quinoline-N-oxide
    • SSVVALKTXQOZNA-UHFFFAOYSA-N
    • DTXSID20482162
    • 2-chloroquinoline-N-oxide
    • Inchi: 1S/C9H6ClNO/c10-9-6-5-7-3-1-2-4-8(7)11(9)12/h1-6H
    • InChI Key: SSVVALKTXQOZNA-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C2C=CC=CC2=[N+]1[O-]

Computed Properties

  • Exact Mass: 179.01388
  • Monoisotopic Mass: 179.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • 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: 2.2
  • Topological Polar Surface Area: 25.5?2

Experimental Properties

  • PSA: 26.94
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