1-(3,5-Dichlorophenyl)-5-Methyl-1H-1,2,4-Triazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H7Cl2N3O2
IUPAC Name 1-(3,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
Molecular Mass 272.087 g·mol−1
Heat of Formation -86.1 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 276.85 Å 3
Surface Area 264.01 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
  • 3h-323s
InChIKey CZTNDZALWLHXBA-UHFFFAOYSA-N
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Elements H C Cl O N