Cas no 233-70-5 (Naphth[1,2-d]oxazole)

Naphth[1,2-d]oxazole structure
Naphth[1,2-d]oxazole structure
Product Name:Naphth[1,2-d]oxazole
CAS No:233-70-5
MF:C11H7NO
MW:169.179382562637
CID:238654
PubChem ID:3718558
Update Time:2025-04-19

Naphth[1,2-d]oxazole Chemical and Physical Properties

Names and Identifiers

    • Naphth[1,2-d]oxazole
    • benzo[e][1,3]benzoxazole
    • 233-70-5
    • WMUIZUWOEIQJEH-UHFFFAOYSA-N
    • naphthoxazole
    • SCHEMBL50811
    • naphto[1,2-d]oxazoline
    • DTXSID60395464
    • Inchi: 1S/C11H7NO/c1-2-4-9-8(3-1)5-6-10-11(9)12-7-13-10/h1-7H
    • InChI Key: WMUIZUWOEIQJEH-UHFFFAOYSA-N
    • SMILES: O1C=NC2=C1C=CC1C=CC=CC=12

Computed Properties

  • Exact Mass: 169.05281
  • Monoisotopic Mass: 169.052763847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 195
  • 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: 3
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.03

Naphth[1,2-d]oxazole Related Literature

  • 1. Reactive intermediates. Part XVII. Conversion of peri-substituted azidonaphthalenes into naphthoxazoles, 1,2-dihydrobenz[cd]indazoles and perimidines
    S. Bradbury,C. W. Rees,R. C. Storr J. Chem. Soc. Perkin Trans. 1 1972 72
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