3-Acetamido-5-Amino-2,4,6-Triiodobenzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C9H7I3N2O3
IUPAC Name 3-acetamido-5-amino-2,4,6-triiodo-benzoic acid
Molecular Mass 571.877 g·mol−1
Heat of Formation -214.5 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 338.81 Å 3
Surface Area 286.19 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(acetylamino)-5-amino-2,4,6-triiodobenzoic acid
  • 3-amino-5-acetamido-2,4,6-triiodobenzoate
  • benzoic acid, 3-acetamido-5-amino-2,4,6-triiodo-
CAS Number(s)
  • 1713-07-1
InChIKey XCNHOBHCZBIGJP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N