Cas no 14192-14-4 (Benzoic acid, 2,3-diiodo-, methyl ester)

Benzoic acid, 2,3-diiodo-, methyl ester structure
14192-14-4 structure
Product Name:Benzoic acid, 2,3-diiodo-, methyl ester
CAS No:14192-14-4
MF:C8H6I2O2
MW:387.940987110138
CID:1309529
PubChem ID:85645014
Update Time:2025-04-20

Benzoic acid, 2,3-diiodo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,3-diiodo-, methyl ester
    • METHYL 2,3-DIIODOBENZOATE
    • 14192-14-4
    • DTXSID301277619
    • DB-220960
    • Inchi： 1S/C8H6I2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
    • InChI Key： QVTAJAIILHYNRS-UHFFFAOYSA-N
    • SMILES： IC1C(=CC=CC=1C(=O)OC)I

Computed Properties

  • Exact Mass: 387.84478
  • Monoisotopic Mass: 387.84572g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 3.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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