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

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Properties Simple | Detailed

Formula C18H14F3N3O3
IUPAC Name 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
Molecular Mass 377.317 g·mol−1
Heat of Formation -829.9 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 400.54 Å 3
Surface Area 368.46 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methoxy-benzylamino)-trifluoromethyl-quinoxaline-2-carboxylic acid
  • 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
  • 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid
InChIKey JWXHIZDIJHFSIP-UHFFFAOYSA-N
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