2-[(Cyclohexylcarbamoyl)Oxy]Ethyl 3-Acetamido-2,4,6-Triiodobenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H21I3N2O5
IUPAC Name 2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodo-benzoate
Molecular Mass 726.083 g·mol−1
Heat of Formation -662.9 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 544.77 Å 3
Surface Area 439.03 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-triiodo-3-acetamidobenzoic acid (n-cyclohexylcarbamyloxy)ethyl ester
  • 3-acetamido-2,4,6-triiodo-benzoic acid 2-(cyclohexylcarbamoyloxy)ethyl ester
  • 3-acetamido-2,4,6-triiodobenzoic acid 2-[(cyclohexylamino)-oxomethoxy]ethyl ester
  • benzoic acid, 3-(acetylamino)-2,4,6-triiodo-, 2-(((cyclohexylamino)carbonyl)oxy)ethyl ester
  • tabac
CAS Number(s)
  • 78969-69-4
InChIKey WNUUWQUNTSGWGN-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N