Cas no 80034-36-2 (Naphthacene, 2-chloro-5,12-bis(phenylethynyl)-)

Naphthacene, 2-chloro-5,12-bis(phenylethynyl)- structure
80034-36-2 structure
Product Name:Naphthacene, 2-chloro-5,12-bis(phenylethynyl)-
CAS No:80034-36-2
MF:C34H19Cl
MW:462.967667818069
CID:706452
PubChem ID:71421345
Update Time:2025-04-19

Naphthacene, 2-chloro-5,12-bis(phenylethynyl)- Chemical and Physical Properties

Names and Identifiers

    • Naphthacene, 2-chloro-5,12-bis(phenylethynyl)-
    • 2-chloro-5,12-bis(2-phenylethynyl)tetracene
    • DTXSID00840504
    • 2-Chloro-5,12-bis(phenylethynyl)tetracene
    • 80034-36-2
    • Inchi: 1S/C34H19Cl/c35-28-17-20-30-29(18-15-24-9-3-1-4-10-24)32-21-26-13-7-8-14-27(26)22-33(32)31(34(30)23-28)19-16-25-11-5-2-6-12-25/h1-14,17,20-23H
    • InChI Key: ZSARDMCZNCXPAL-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C#CC3C=CC=CC=3)C3=CC4C=CC=CC=4C=C3C(C#CC3C=CC=CC=3)=C2C=1

Computed Properties

  • Exact Mass: 462.1175283g/mol
  • Monoisotopic Mass: 462.1175283g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 4
  • Complexity: 848
  • 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: 10.3
  • Topological Polar Surface Area: 0?2
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