5,7-Dichlorokynurenic Acid

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Properties Simple | Detailed

Formula C10H5Cl2NO3
IUPAC Name 5,7-dichloro-4-oxo-1h-quinoline-2-carboxylic acid
Molecular Mass 258.058 g·mol−1
Heat of Formation -410.6 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 251.38 Å 3
Surface Area 236.63 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-
  • 5,7 dichlorokynurenic acid
  • 5,7-dcka
  • 5,7-dichloro-4-hydroxy-2-quinolinecarboxylic acid
  • 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid
  • 5,7-dichloro-4-keto-1h-quinoline-2-carboxylic acid
  • 5,7-dichloro-4-oxo-1h-quinoline-2-carboxylic acid
  • 5,7-dichloroquinurenic acid
  • 5,7-dichorokynurenic acid
  • biomol-nt_000180
  • bpbio1_001172
  • dcka, 5,7-dichlorokynurenic acid
  • dk1
  • oprea1_091974
  • pdsp1_000183
  • pdsp2_000182
  • tocris-0286
CAS Number(s)
  • 131123-76-7
InChIKey BGKFPRIGXAVYNX-UHFFFAOYSA-N
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Elements H C N O Cl