Carboxyamidotriazole

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Properties Simple | Detailed

Formula C17H12Cl3N5O2
IUPAC Name 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-diene-4-carboxamide
Molecular Mass 424.668 g·mol−1
Heat of Formation 3.8 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 442.78 Å 3
Surface Area 370.15 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,3-triazole-4-carboxamide, 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-
  • 1h-1,2,3-triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-
  • 4-cai
  • 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-1h-1,2,3-triazole-4-carboxamide
  • 5-amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1h-1,2,3-triazole-4-carboxamide
  • 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]triazole-4-carboxamide
  • 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
  • 5-amino-1-[[3,5-dichloro-4-(4-chlorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide
  • 5-amino-1-[[3,5-dichloro-4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide
  • cai
  • carboxyamido-triazole
  • l 651582
  • l-651582
  • l651582
  • rfe-007
CAS Number(s)
  • 99519-84-3
InChIKey WNRZHQBJSXRYJK-UHFFFAOYSA-N
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