Cas no 79365-05-2 (Benzonitrile, 2-(4-methylphenoxy)-)

Benzonitrile, 2-(4-methylphenoxy)- structure
79365-05-2 structure
Product Name:Benzonitrile, 2-(4-methylphenoxy)-
CAS No:79365-05-2
MF:C14H11NO
MW:209.243243455887
CID:530407
PubChem ID:12744221
Update Time:2025-04-19

Benzonitrile, 2-(4-methylphenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-(4-methylphenoxy)-
    • 2-(4-methylphenoxy)benzonitrile
    • DTXSID90508707
    • 79365-05-2
    • A1-05452
    • AKOS000261529
    • 2-(p-Tolyloxy)benzonitrile
    • SCHEMBL9590630
    • Inchi: 1S/C14H11NO/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-9H,1H3
    • InChI Key: FTXMRDIYTHLABQ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1C#N)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 209.084063974g/mol
  • Monoisotopic Mass: 209.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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: 3.5
  • Topological Polar Surface Area: 33?2
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