Cas no 72928-29-1 ([1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)-)

[1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)- structure
72928-29-1 structure
Product Name:[1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)-
CAS No:72928-29-1
MF:C24H31NO
MW:349.509046792984
CID:564296
PubChem ID:175302
Update Time:2025-04-19

[1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carbonitrile,4'-(undecyloxy)-
    • 4-(4-undecoxyphenyl)benzonitrile
    • 4'-(undecyloxy)[1,1'-biphenyl]-4-carbonitrile
    • (1,1'-Biphenyl)-4-carbonitrile, 4'-(undecyloxy)-
    • 4'-(Undecyloxy)(1,1'-biphenyl)-4-carbonitrile
    • 4'-(undecyloxy)biphenyl-4-carbonitrile
    • 4-Cyano-4'-undecyloxybiphenyl
    • EINECS 277-063-8
    • 4-cyano-4'-n-undecyloxybiphenyl
    • 11OCB
    • SCHEMBL1894564
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-(undecyloxy)-
    • NS00037437
    • DTXSID8072663
    • 72928-29-1
    • Inchi: 1S/C24H31NO/c1-2-3-4-5-6-7-8-9-10-19-26-24-17-15-23(16-18-24)22-13-11-21(20-25)12-14-22/h11-18H,2-10,19H2,1H3
    • InChI Key: BWRJKFPLVHZYLY-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C2C=CC(C#N)=CC=2)=CC=1)CCCCCCCCCCC

Computed Properties

  • Exact Mass: 349.24073
  • Monoisotopic Mass: 349.240564612g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 12
  • Complexity: 382
  • 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: 8.3
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02
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