2,2'-{[2-(Carboxymethoxy)-4-Fluoro-5-Methylphenyl]Imino}Diacetic Acid

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Properties Simple | Detailed

Formula C13H14FNO7
IUPAC Name 2-[2-(carboxymethoxy)-n-(carboxymethyl)-4-fluoro-5-methyl-anilino]acetic acid
Molecular Mass 315.251 g·mol−1
Heat of Formation -1387.7 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 337.5 Å 3
Surface Area 295.67 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[carboxymethyl-[2-(carboxymethyloxy)-4-fluoro-5-methyl-phenyl]amino]acetic acid
  • 2-[carboxymethyl-[2-(carboxymethyloxy)-4-fluoro-5-methyl-phenyl]amino]ethanoic acid
  • 2-[carboxymethyl-[2-(carboxymethyloxy)-4-fluoro-5-methylphenyl]amino]acetic acid
  • 4,5-mf-aptra
  • 4-methyl-5-fluoro-2-aminophenol-n,n,o-triacetate
CAS Number(s)
  • 114199-96-1
InChIKey FHKUMSMYYZZFPK-UHFFFAOYSA-N
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