Cas no 55792-40-0 (Benzene, 1-isocyanato-4-(nonyloxy)-)

Benzene, 1-isocyanato-4-(nonyloxy)- structure
55792-40-0 structure
Product Name:Benzene, 1-isocyanato-4-(nonyloxy)-
CAS No:55792-40-0
MF:C16H23NO2
MW:261.35932469368
CID:350885
PubChem ID:13904859
Update Time:2025-04-19

Benzene, 1-isocyanato-4-(nonyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-isocyanato-4-(nonyloxy)-
    • 1-isocyanato-4-nonoxybenzene
    • DTXSID20552218
    • 1-ISOCYANATO-4-(NONYLOXY)BENZENE
    • 55792-40-0
    • Inchi: 1S/C16H23NO2/c1-2-3-4-5-6-7-8-13-19-16-11-9-15(10-12-16)17-14-18/h9-12H,2-8,13H2,1H3
    • InChI Key: WOOQIOFHXFKOOV-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)N=C=O)CCCCCCCCC

Computed Properties

  • Exact Mass: 261.17299
  • Monoisotopic Mass: 261.172878976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 10
  • Complexity: 254
  • 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: 6.8
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.66
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