5-Chloro-2-(3-(Hydroxymethyl)-5-Methyl-4H-1,2,4-Triazol-4-Yl)Benzophenone

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Properties Simple | Detailed

Formula C17H14ClN3O2
IUPAC Name [5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
Molecular Mass 327.765 g·mol−1
Heat of Formation 19.2 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 370.55 Å 3
Surface Area 298.63 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • [5-chloro-2-(3-methyl-5-methylol-1,2,4-triazol-4-yl)phenyl]-phenyl-methanone
  • [5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenyl-methanone
  • hb-compound
  • methanone, (5-chloro-2-(3-(hydroxymethyl)-5-methyl-4h-1,2,4-triazol-4-yl)phenyl)phenyl-
CAS Number(s)
  • 38150-27-5
InChIKey UZEKJKOIIZBJFR-UHFFFAOYSA-N
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