Cas no 100171-52-6 (2-naphthalen-1-ylbenzo[f][1,3]benzoxazole)

2-naphthalen-1-ylbenzo[f][1,3]benzoxazole structure
100171-52-6 structure
Product Name:2-naphthalen-1-ylbenzo[f][1,3]benzoxazole
CAS No:100171-52-6
MF:C21H13NO
MW:295.334025144577
CID:1125163
PubChem ID:71332261
Update Time:2025-04-20

2-naphthalen-1-ylbenzo[f][1,3]benzoxazole Chemical and Physical Properties

Names and Identifiers

    • 2-naphthalen-1-ylbenzo[f][1,3]benzoxazole
    • ACMC-20m390
    • CTK0E0308
    • Naphth[2,3-d]oxazole, 2-(1-naphthalenyl)-
    • 2-naphthalen-1-yl-naphtho[2,3-d]oxazole
    • 2-Naphthyl-(1)-naphth&lt
    • 2.3-d&gt
    • oxazol
    • ACMC-20m390; CTK0E0308; Naphth[2,3-d]oxazole, 2-(1-naphthalenyl)-; 2-naphthalen-1-yl-naphtho[2,3-d]oxazole; 2-Naphthyl-(1)-naphth< 2.3-d> oxazol;
    • 2-(NAPHTHALEN-1-YL)NAPHTHO[2,3-D][1,3]OXAZOLE
    • DTXSID30760741
    • 100171-52-6
    • Inchi: 1S/C21H13NO/c1-2-8-16-13-20-19(12-15(16)7-1)22-21(23-20)18-11-5-9-14-6-3-4-10-17(14)18/h1-13H
    • InChI Key: TTWNZQKDAKGOTK-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=CC3C=CC=CC2=3)=NC2C=C3C=CC=CC3=CC1=2

Computed Properties

  • Exact Mass: 295.099714g/mol
  • Monoisotopic Mass: 295.099714g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 424
  • 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
  • Molecular Weight: 295.3g/mol
  • XLogP3: 5.9
  • Topological Polar Surface Area: 26?2
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