5-(3-Chloro-1-Benzothiophen-2-Yl)-1,3,4-Oxadiazol-2(3H)-One

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Properties Simple | Detailed

Formula C10H5ClN2O2S
IUPAC Name 5-(3-chloro-1-benzothiophen-2-yl)-3h-1,3,4-oxadiazol-2-one
Molecular Mass 252.677 g·mol−1
Heat of Formation -17.4 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 247.75 Å 3
Surface Area 235.17 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,4-oxadiazol-2(3h)-one, 5-(3-chlorobenzo(b)thien-2-yl)-
  • 3-cdoob
  • 3-chloro-2-(2,3-dihydro-2-oxo-1,3,4-oxadiazol-5-yl)benzo(b)thiophene
  • 5-(3-chloro-2-benzothiophenyl)-3h-1,3,4-oxadiazol-2-one
  • 5-(3-chlorobenzo(b)thien-2-yl)-1,3,4-oxadiazol-2(3h)-one
  • 5-(3-chlorobenzothiophen-2-yl)-3h-1,3,4-oxadiazol-2-one
CAS Number(s)
  • 78620-31-2
InChIKey DDAPBGYGEUXJAC-UHFFFAOYSA-N
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