3-[(4-Fluorobenzyl)Amino]-6-(Trifluoromethyl)-2-Quinoxalinecarboxylic Acid

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Properties Simple | Detailed

Formula C17H11F4N3O2
IUPAC Name 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
Molecular Mass 365.282 g·mol−1
Heat of Formation -857.5 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 374.83 Å 3
Surface Area 344.94 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((4-fluorobenzyl)amino)-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid
  • 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
  • 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid
InChIKey HUDWVBGXXJRCNV-UHFFFAOYSA-N
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