3-(5-Chloro-2-Hydroxybenzyl)-5-[4-(Trifluoromethyl)Phenyl]-1,3,4-Oxadiazol-2(3H)-One

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Properties Simple | Detailed

Formula C16H10ClF3N2O3
IUPAC Name 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
Molecular Mass 370.710 g·mol−1
Heat of Formation -863.9 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 379.33 Å 3
Surface Area 335.55 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-chloro-2-hydroxy-benzyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
  • 3-[(5-chloro-2-hydroxy-phenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
InChIKey QKOWACXSXTXRKA-UHFFFAOYSA-N
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Elements C F H Cl O N