6-Bromo-1,3-Benzoxazol-2(3H)-One

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Properties Simple | Detailed

Formula C7H4BrNO2
IUPAC Name 6-bromo-1,3-benzoxazol-2-one
Molecular Mass 214.016 g·mol−1
Heat of Formation -157.7 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 177.84 Å 3
Surface Area 178.76 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(3h)-benzoxazolone, 6-bromo-
  • 2(3h)-benzoxazolone, 6-bromo- (9ci)
  • 2-benzoxazolinone, 6-bromo-
  • 6-bromo-2-benzoxazolinone
  • 6-bromo-3h-1,3-benzoxazol-2-one
CAS Number(s)
  • 19932-85-5
InChIKey DDNKJFBQMQOIKI-UHFFFAOYSA-N
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Elements H C O Br N