Cas no 119764-79-3 (Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI))

Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI) structure
119764-79-3 structure
Product Name:Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI)
CAS No:119764-79-3
MF:C18H27IO2
MW:400.310410737991
CID:167101
PubChem ID:147819
Update Time:2025-04-19

Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Dodecanoic acid,4-(iodo-125I)phenyl ester (9CI)
    • 2-(4-iodophenyl)dodecanoate
    • 4-iodophenyllaurate
    • 4-(~125~I)iodophenyl dodecanoate
    • Dodecanoic acid, 4-(iodo-125I)phenyl ester
    • p-Iodophenyllauric acid
    • DTXSID00923104
    • (4-(125I)iodanylphenyl) dodecanoate
    • 119764-79-3
    • Inchi: 1S/C18H27IO2/c1-2-3-4-5-6-7-8-9-10-11-18(20)21-17-14-12-16(19)13-15-17/h12-15H,2-11H2,1H3/i19-2
    • InChI Key: RTVTZBRXNQFAQG-GBVACIEGSA-N
    • SMILES: [125I]C1C=CC(=CC=1)OC(CCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 402.10521
  • Monoisotopic Mass: 400.105729
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 260
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 7.5

Experimental Properties

  • Density: 1.28
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.528
  • PSA: 26.3
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