6-Benzoyl-2(3H)-Benzothiazolone

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Properties Simple | Detailed

Formula C14H9NO2S
IUPAC Name 6-benzoyl-3h-1,3-benzothiazol-2-one
Molecular Mass 255.292 g·mol−1
Heat of Formation -77.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 285.98 Å 3
Surface Area 263.74 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(oxo-phenylmethyl)-3h-1,3-benzothiazol-2-one
  • 6-(phenylcarbonyl)-3-hydrobenzothiazol-2-one
  • 6-bbo
  • 6-benzoyl-2-benzothiazolinone
  • 6-benzoyl-benzothiazolin-2-one der.
  • 6-benzoylbenzothiazolin-2-one
  • 6-phenylcarbonyl-3h-1,3-benzothiazol-2-one
  • oprea1_181312
CAS Number(s)
  • 133044-31-2
InChIKey LVYHRYBZGHHJEU-UHFFFAOYSA-N
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