Cas no 80953-51-1 (Benzenemethanol, 2-iodo-, acetate)

Benzenemethanol, 2-iodo-, acetate structure
80953-51-1 structure
Product Name:Benzenemethanol, 2-iodo-, acetate
CAS No:80953-51-1
MF:C9H11IO3
MW:294.086315393448
CID:704729
PubChem ID:71421065
Update Time:2025-04-19

Benzenemethanol, 2-iodo-, acetate Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2-iodo-, acetate
    • acetic acid,(2-iodophenyl)methanol
    • (2-iodophenyl)methyl acetate
    • 2-acetylbenzyl acetate
    • 2-iodobenzyl acetate
    • acetic acid-(2-iodo-benzyl ester)
    • Essigsaeure-(2-jod-benzylester)
    • 80953-51-1
    • DTXSID30840234
    • Acetic acid--(2-iodophenyl)methanol (1/1)
    • Inchi: 1S/C7H7IO.C2H4O2/c8-7-4-2-1-3-6(7)5-9;1-2(3)4/h1-4,9H,5H2;1H3,(H,3,4)
    • InChI Key: ISFVQVQOXPBIGZ-UHFFFAOYSA-N
    • SMILES: IC1C=CC=CC=1CO.OC(C)=O

Computed Properties

  • Exact Mass: 293.97500
  • Monoisotopic Mass: 293.97529g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 116
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53000
  • LogP: 1.87440
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