Cas no 217-17-4 (Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI))

Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI) structure
217-17-4 structure
Product Name:Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI)
CAS No:217-17-4
MF:C12H6N2O2
MW:210.188242435455
CID:290674
PubChem ID:71359092
Update Time:2025-04-19

Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Naphtho[1,2-d:5,6-d']bisoxazole(7CI,8CI,9CI)
    • Benzoxazolo[5',4':4,5]benzoxazole
    • [1,3]benzoxazolo[5,4-e][1,3]benzoxazole
    • Naphtho[1,2-d:5,6-d']bis[1,3]oxazole
    • DTXSID50782960
    • 217-17-4
    • Inchi: 1S/C12H6N2O2/c1-3-9-12(14-6-15-9)8-2-4-10-11(7(1)8)13-5-16-10/h1-6H
    • InChI Key: JZNAGFUVPDJVTK-UHFFFAOYSA-N
    • SMILES: O1C=NC2=C1C=CC1C3=C(C=CC=12)OC=N3

Computed Properties

  • Exact Mass: 210.04298
  • Monoisotopic Mass: 210.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 258
  • 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: 2.9
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • PSA: 52.06
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