Cas no 80370-33-8 (p-Tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)

p-Tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate structure
80370-33-8 structure
Product Name:p-Tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
CAS No:80370-33-8
MF:C17H12N2O4S
MW:340.353182792664
CID:985528
Update Time:2023-08-02

p-Tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate Chemical and Physical Properties

Names and Identifiers

    • p-tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
    • 2-diazonio-5-(4-methylphenoxy)sulfonylnaphthalen-1-olate
    • 2-Diazo-5-(p-tolyloxysulfonyl)-1(2H)-naphthalenone
    • 4-Methylphenyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate
    • p-Tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
    • Inchi: 1S/C17H12N2O4S/c1-11-5-7-12(8-6-11)23-24(21,22)16-4-2-3-14-13(16)9-10-15(19-18)17(14)20/h2-10H,1H3
    • InChI Key: IYVXYACGWZOENU-UHFFFAOYSA-N
    • SMILES: S(C1=CC=CC2C(=C(C=CC1=2)[N+]#N)[O-])(=O)(=O)OC1C=CC(C)=CC=1

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 585
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.6
  • Topological Polar Surface Area: 103
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