Cas no 918331-05-2 (Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester)

Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester structure
918331-05-2 structure
Product Name:Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester
CAS No:918331-05-2
MF:C15H12I2O2
MW:478.063529014587
CID:777685
PubChem ID:71427521
Update Time:2025-04-19

Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,5-diiodo-, (1S)-1-phenylethyl ester
    • [(1S)-1-phenylethyl] 2,5-diiodobenzoate
    • DTXSID80846261
    • 918331-05-2
    • (1S)-1-Phenylethyl 2,5-diiodobenzoate
    • Inchi: 1S/C15H12I2O2/c1-10(11-5-3-2-4-6-11)19-15(18)13-9-12(16)7-8-14(13)17/h2-10H,1H3/t10-/m0/s1
    • InChI Key: FAIQBBIBBATWCC-JTQLQIEISA-N
    • SMILES: IC1C=CC(=CC=1C(=O)O[C@@H](C)C1C=CC=CC=1)I

Computed Properties

  • Exact Mass: 477.89267g/mol
  • Monoisotopic Mass: 477.89267g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 26.3?2
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