Cas no 27670-42-4 (Naphth[2,1-c]isoxazole(8CI,9CI))

Naphth[2,1-c]isoxazole(8CI,9CI) structure
27670-42-4 structure
Product Name:Naphth[2,1-c]isoxazole(8CI,9CI)
CAS No:27670-42-4
MF:C11H7NO
MW:169.179382562637
CID:251352
PubChem ID:17960256
Update Time:2025-04-19

Naphth[2,1-c]isoxazole(8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Naphth[2,1-c]isoxazole(8CI,9CI)
    • benzo[e][2,1]benzoxazole
    • DTXSID40591765
    • NAPHTHO[2,1-C][1,2]OXAZOLE
    • 27670-42-4
    • SCHEMBL927155
    • Inchi: 1S/C11H7NO/c1-2-4-9-8(3-1)5-6-11-10(9)7-13-12-11/h1-7H
    • InChI Key: QJOFPHDURCNXSG-UHFFFAOYSA-N
    • SMILES: O1C=C2C(C=CC3C=CC=CC2=3)=N1

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
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