1-(4-Chloro-2-Methylbenzyl)-1H-Indazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H13ClN2O2
IUPAC Name 1-[(4-chloro-2-methyl-phenyl)methyl]indazol-1-ium-2-ide-3-carboxylic acid
Molecular Mass 300.740 g·mol−1
Heat of Formation -64.5 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 339.77 Å 3
Surface Area 300.97 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-methyl-4-chlorophenyl)methyl)-indazole-3-carboxylic acid
  • 1-((4-chloro-2-methylphenyl)methyl)-1h-indazole-3-carboxylic acid
  • 1-(4-chloro-2-methyl-benzyl)indazole-3-carboxylic acid
  • 1-[(4-chloro-2-methyl-phenyl)methyl]indazole-3-carboxylic acid
  • 1-[(4-chloro-2-methylphenyl)methyl]-3-indazolecarboxylic acid
  • 1-[(4-chloro-2-methylphenyl)methyl]indazole-3-carboxylic acid
  • 1b, indazole
  • 1h-indazole-3-carboxylic acid, 1-((2-methyl-4-chlorophenyl)methyl)-
  • 1h-indazole-3-carboxylic acid, 1-((4-chloro-2-methylphenyl)methyl)-
  • 1h-indazole-3-carboxylic acid, 1-(4-chloro-2-methylbenzyl)-
  • af 1923
  • tolnidamide
  • tolnidamine
CAS Number(s)
  • 50454-68-7
InChIKey IWKDFIXLGQOEKD-UHFFFAOYSA-N
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Elements H C N O Cl