5-(4-Chlorophenyl)-4-Ethyl-2,4-Dihydro-2-Methyl-3H-1,2,4-Triazol-3-One

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Properties Simple | Detailed

Formula C11H12ClN3O
IUPAC Name 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one
Molecular Mass 237.685 g·mol−1
Heat of Formation 16.8 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 273.8 Å 3
Surface Area 252.61 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-3h-1,2,4-triazol-3-one
  • 3h-1,2,4-triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-4-ethyl-2-methyl-
  • 3h-1,2,4-triazol-3-one, 5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-2-methyl-
  • 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one
  • mdl 27266
CAS Number(s)
  • 116114-14-8
InChIKey HXPJLBHKHCQJBB-UHFFFAOYSA-N
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Elements H C N O Cl