7-Chlorokynurenic Acid

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Properties Simple | Detailed

Formula C10H6ClNO3
IUPAC Name 7-chloro-4-oxo-3,5,6,8-tetrahydro-1h-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
Molecular Mass 223.613 g·mol−1
Heat of Formation -384.1 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 230.23 Å 3
Surface Area 221.46 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-chloro-4-hydroxyquinoline-2-carboxylic acid
  • 7-chloro-4-keto-1h-quinoline-2-carboxylic acid
  • 7-chloro-4-oxo-1h-quinoline-2-carboxylic acid
  • 7-chloro-kynurenic acid
  • biomol-nt_000199
  • bpbio1_001230
  • tocris-0237
CAS Number(s)
  • 18000-24-3
InChIKey UAWVRVFHMOSAPU-UHFFFAOYSA-N
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Elements H C N O Cl