Cas no 66217-29-6 (2-Naphthalenecarbonitrile, 6-(phenylmethoxy)-)

2-Naphthalenecarbonitrile, 6-(phenylmethoxy)- structure
66217-29-6 structure
Product Name:2-Naphthalenecarbonitrile, 6-(phenylmethoxy)-
CAS No:66217-29-6
MF:C18H13NO
MW:259.301924467087
CID:396655
PubChem ID:11086469
Update Time:2025-04-19

2-Naphthalenecarbonitrile, 6-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarbonitrile, 6-(phenylmethoxy)-
    • 6-phenylmethoxynaphthalene-2-carbonitrile
    • 66217-29-6
    • SCHEMBL7837193
    • 2-benzyloxy-6-naphthonitrile
    • DTXSID90454750
    • DCTXEFJHUYMPBW-UHFFFAOYSA-N
    • Inchi: 1S/C18H13NO/c19-12-15-6-7-17-11-18(9-8-16(17)10-15)20-13-14-4-2-1-3-5-14/h1-11H,13H2
    • InChI Key: DCTXEFJHUYMPBW-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1=CC=C2C=C(C#N)C=CC2=C1

Computed Properties

  • Exact Mass: 259.09979
  • Monoisotopic Mass: 259.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 352
  • 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: 4.4
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02
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