Ethyl 3,5-Diacetamido-2,4,6-Triiodobenzoate

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Properties Simple | Detailed

Formula C13H13I3N2O4
IUPAC Name ethyl 3,5-diacetamido-2,4,6-triiodo-benzoate
Molecular Mass 641.967 g·mol−1
Heat of Formation -427.2 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 434.07 Å 3
Surface Area 359.1 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-diacetamido-2,4,6-triiodo-benzoic acid ethyl ester
  • 3,5-diacetamido-2,4,6-triiodobenzoic acid ethyl ester
  • benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, ethyl ester
  • benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, ethyl ester
  • diatrizoate ethyl
  • ethyl diatrizoate
  • win 05316
  • win 8883
CAS Number(s)
  • 2168-75-4
InChIKey OBISGMNJKBVZBT-UHFFFAOYSA-N
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