4,5,6-Trichloro-1,3-Benzoxazol-2(3H)-One

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Properties Simple | Detailed

Formula C7H2Cl3NO2
IUPAC Name 4,5,6-trichloro-1,3-benzoxazol-2-one
Molecular Mass 238.455 g·mol−1
Heat of Formation -264.3 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 213.11 Å 3
Surface Area 204.36 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(3h)-benzoxazolone, 4,5,6-trichloro-
  • 4,5,6-trichloro-2(3h)-benzoxazolinone
  • 4,5,6-trichloro-2(3h)-benzoxazolone
  • 4,5,6-trichloro-2-benzoxazolinone
  • 4,5,6-trichloro-3h-1,3-benzoxazol-2-one
  • 4,5,6-trichlorobenzoxazolinone
  • ag-205/06527017
  • oprea1_405230
  • oprea1_588547
CAS Number(s)
  • 50995-94-3
  • 51888-98-3
InChIKey OOXHZCGBJSGVTN-UHFFFAOYSA-N
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Elements H C N O Cl