3-{[Hydroxy({[(4-Iodophenyl)Acetyl]Amino}Methyl)Phosphoryl]Oxy}Benzoic Acid

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Properties Simple | Detailed

Formula C16H15INO6P
IUPAC Name 3-[hydroxy-[[[2-(4-iodophenyl)acetyl]amino]methyl]phosphoryl]oxybenzoic acid
Molecular Mass 475.172 g·mol−1
Heat of Formation -1114.7 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 431.33 Å 3
Surface Area 329.06 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[hydroxy-[[2-(4-iodophenyl)ethanoylamino]methyl]phosphoryl]oxybenzoic acid
  • 3-[hydroxy-[[[2-(4-iodophenyl)-1-oxoethyl]amino]methyl]phosphoryl]oxybenzoic acid
  • 3-carboxyphenyl((n-((4-iodophenyl)acetyl)amino)methyl)phosphonate
  • m-carboxyphenyl((n-((p-iodophenyl)acetyl)amino)methyl)phosphonate
  • m-ciaamp
CAS Number(s)
  • 156483-88-4
InChIKey XKIXOGFDDUEBHT-UHFFFAOYSA-N
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