12-{[4-Azido-2-Hydroxy-5-(~125~I)Iodobenzoyl]Amino}Dodecanoic Acid

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Properties Simple | Detailed

Formula C19H27IN4O4
IUPAC Name 12-[(4-azido-2-hydroxy-5-(125i)iodanyl-benzoyl)amino]dodecanoic acid
Molecular Mass 500.347 g·mol−1
Heat of Formation -470.5 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 516.53 Å 3
Surface Area 471.5 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 12-((5-iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoate
  • 12-ifa
  • dodecanoic acid, 12-((4-azido-2-hydroxy-5-(iodo-125i)benzoyl)amino)-
CAS Number(s)
  • 125108-86-3
InChIKey BLPGXBIWGYWBIP-STTHPYEQSA-N
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