Cas no 55404-06-3 (9-chloro-1H-Imidazo[4,5-f]quinoline)

9-chloro-1H-Imidazo[4,5-f]quinoline structure
55404-06-3 structure
Product Name:9-chloro-1H-Imidazo[4,5-f]quinoline
CAS No:55404-06-3
MF:C10H6ClN3
MW:203.627740383148
CID:352010
PubChem ID:135712933
Update Time:2025-04-19

9-chloro-1H-Imidazo[4,5-f]quinoline Chemical and Physical Properties

Names and Identifiers

    • 9-chloro-1H-Imidazo[4,5-f]quinoline
    • 9-chloro-3H-imidazo[4,5-f]quinoline
    • 55404-06-3
    • DTXSID00492002
    • SCHEMBL10758605
    • Inchi: 1S/C10H6ClN3/c11-6-3-4-12-7-1-2-8-10(9(6)7)14-5-13-8/h1-5,12H
    • InChI Key: PNDDUMGAHWSSQY-UHFFFAOYSA-N
    • SMILES: ClC1C=CNC2=CC=C3C(C2=1)=NC=N3

Computed Properties

  • Exact Mass: 203.02518
  • Monoisotopic Mass: 203.0250249g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 490
  • 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: 1.7
  • Topological Polar Surface Area: 36.8?2

Experimental Properties

  • PSA: 41.57
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