N-[(7-Fluoro-9-Oxo-9H-Xanthen-2-Yl)Sulfonyl]-N-Methylglycine

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Properties Simple | Detailed

Formula C16H12FNO6S
IUPAC Name 2-[(7-fluoro-9-oxo-xanthen-2-yl)sulfonyl-methyl-amino]acetic acid
Molecular Mass 365.333 g·mol−1
Heat of Formation -954.2 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 375.42 Å 3
Surface Area 329.49 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(7-fluoro-9-keto-xanthen-2-yl)sulfonyl-methyl-amino]acetic acid
  • 2-[(7-fluoro-9-oxo-2-xanthenyl)sulfonyl-methylamino]acetic acid
  • 2-[(7-fluoro-9-oxo-xanthen-2-yl)sulfonyl-methyl-amino]ethanoic acid
  • 2-[(7-fluoro-9-oxoxanthen-2-yl)sulfonyl-methylamino]acetic acid
  • 7-fluoro-2-(n-methyl-n-carboxymethyl)sulfamoyl xanthone
  • bal-ari8
  • glycine, n-((7-fluoro-9-oxo-9h-xanthen-2-yl)sulfonyl)-n-methyl-
  • n-((7-fluoro-9-oxo-9h-xanthen-2-yl)sulfonyl)-n-methylglycine
CAS Number(s)
  • 124066-40-6
InChIKey SXDYWXILYKTCNW-UHFFFAOYSA-N
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