2,2',2'',2'''-{1,2-Ethanediylbis[Oxy(5-Fluoro-2,1-Phenylene)Nitrilo]}Tetraacetic Acid

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Properties Simple | Detailed

Formula C22H22F2N2O10
IUPAC Name 2-[2-[2-[2-[bis(carboxylatomethyl)amino]-4-fluoro-benzene-5-id-1-yl]oxyethoxy]-n-(carboxylatomethyl)-5-fluoro-anilino]acetate
Molecular Mass 512.414 g·mol−1
Heat of Formation -1995.6 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 541.92 Å 3
Surface Area 432.02 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-bis(2-amino-5-fluorophenoxyl)ethane-n,n,n',n'-tetraacetic acid
  • 2-[[2-[2-[2-(bis(carboxymethyl)amino)-4-fluoro-phenoxy]ethoxy]-5-fluoro-phenyl]-(carboxymethyl)amino]acetic acid
  • 2-[[2-[2-[2-(bis(carboxymethyl)amino)-4-fluoro-phenoxy]ethoxy]-5-fluoro-phenyl]-(carboxymethyl)amino]ethanoic acid
  • 2-[[2-[2-[2-(bis(carboxymethyl)amino)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-(carboxymethyl)amino]acetic acid
  • 4,4'-difluoro-1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid
  • 4,4'-fbapta
  • 5,5'-difluoro-1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid
  • 5,5'-f2-bapta
  • 5,5'-fbapta
  • 5f-bapta
  • glycine, n,n'-(1,2-ethanediylbis(oxy(4-fluoro-2,1-phenylene)))bis(n-(carboxymethyl)-
  • glycine, n,n'-(1,2-ethanediylbis(oxy(5-fluoro-2,1-phenylene)))bis(n-(carboxymethyl)-
CAS Number(s)
  • 85233-21-2
  • 85233-22-3
InChIKey VYGBXCPVENMZOX-UHFFFAOYSA-N
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