3-Acetamido-2,4,6-Triiodo-5-{[2-(Methylamino)-2-Oxoethyl]Carbamoyl}Benzoic Acid

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Properties Simple | Detailed

Formula C13H12I3N3O5
IUPAC Name 3-acetamido-2,4,6-triiodo-5-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]benzoic acid
Molecular Mass 670.965 g·mol−1
Heat of Formation -566.6 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 451.09 Å 3
Surface Area 372.22 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(acetylamino)-2,4,6-triiodo-5-(((2-(methylamino)-2-oxoethyl)amino)carbonyl)benzoic acid
  • 3-acetamido-2,4,6-triiodo-5-[(2-keto-2-methylamino-ethyl)carbamoyl]benzoic acid
  • 3-acetamido-2,4,6-triiodo-5-[(2-methylamino-2-oxo-ethyl)carbamoyl]benzoic acid
  • 3-acetamido-2,4,6-triiodo-5-[[(2-methylamino-2-oxoethyl)amino]-oxomethyl]benzoic acid
  • 5-acetamido-2,4,6-triiodo-n-((methylcarbamoyl)methyl)isophthalamic acid
  • benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-(((2-(methylamino)-2-oxoethyl)amino)carbonyl)-
  • d04574
  • ioglicic acid
  • ioglicic acid (usan)
  • sh h 200ab
CAS Number(s)
  • 49755-67-1
InChIKey HHFIATHHSBFCBY-UHFFFAOYSA-N
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