2-[(2-Carboxy-5-Chlorophenyl)Amino]-3,6-Dimethylbenzoic Acid

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Properties Simple | Detailed

Formula C16H14ClNO4
IUPAC Name 2-(2-carboxy-5-chloro-anilino)-3,6-dimethyl-benzoic acid
Molecular Mass 319.740 g·mol−1
Heat of Formation -663.7 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 358.79 Å 3
Surface Area 309.99 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2-carboxy-5-chloro-phenyl)amino]-3,6-dimethyl-benzoic acid
  • 4-chloro-3',6'-dimethyl-2,2'-iminodibenzoate
  • benzoic acid, 2-((2-carboxy-5-chlorophenyl)amino)-3,6-dimethyl-
  • cdib
  • to 115
  • to-115
CAS Number(s)
  • 82050-51-9
InChIKey WCQWHIQTMOQESA-UHFFFAOYSA-N
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Elements H C N O Cl