2,2'-{[2-(Carboxymethoxy)-5-Fluorophenyl]Imino}Diacetic Acid

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Formula C12H12FNO7
IUPAC Name 2-[2-(carboxymethoxy)-n-(carboxymethyl)-5-fluoro-anilino]acetic acid
Molecular Mass 301.225 g·mol−1
Heat of Formation -1346.0 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 316.94 Å 3
Surface Area 282.55 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[carboxymethyl-[2-(carboxymethyloxy)-5-fluoro-phenyl]amino]acetic acid
  • 2-[carboxymethyl-[2-(carboxymethyloxy)-5-fluoro-phenyl]amino]ethanoic acid
  • 2-[carboxymethyl-[2-(carboxymethyloxy)-5-fluorophenyl]amino]acetic acid
  • 5-f-aptra
  • 5-fluoro-2-aminophenol-n,n,o-triacetate
CAS Number(s)
  • 114199-94-9
InChIKey LGLJEJDKAGNQPY-UHFFFAOYSA-N
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