[{2-[(E)-2-{8-[Bis(Carboxymethyl)Amino]-6-Fluoro-2-Quinolinyl}Vinyl]Phenyl}(Carboxymethyl)Amino]Acetic Acid

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Formula C25H22FN3O8
IUPAC Name 2-[2-[(e)-2-[8-[bis(carboxymethyl)amino]-6-fluoro-2-quinolyl]vinyl]-n-(carboxymethyl)anilino]acetic acid
Molecular Mass 511.456 g·mol−1
Heat of Formation -1301.5 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 572.83 Å 3
Surface Area 436.71 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-[(e)-2-[8-(bis(carboxymethyl)amino)-6-fluoro-2-quinolyl]vinyl]phenyl]-(carboxymethyl)amino]acetic acid
  • 2-[[2-[(e)-2-[8-(bis(carboxymethyl)amino)-6-fluoro-quinolin-2-yl]ethenyl]phenyl]-(carboxymethyl)amino]ethanoic acid
  • 2-[[2-[(e)-2-[8-(bis(carboxymethyl)amino)-6-fluoroquinolin-2-yl]ethenyl]phenyl]-(carboxymethyl)amino]acetic acid
  • f-quene 1
  • glycine, n-(2-(2-(8-(bis(carboxymethyl)amino)-6-fluoro-2-quinolinyl)ethenyl)phenyl)-n-(carboxymethyl)-, (e)-
CAS Number(s)
  • 137550-81-3
InChIKey MUDPZZLINDYVTG-FNORWQNLSA-N
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