5-Chloro-6-Hydroxy-1,3-Benzoxazol-2(3H)-One

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Properties Simple | Detailed

Formula C7H4ClNO3
IUPAC Name 5-chloro-6-hydroxy-1,3-benzoxazol-2-one
Molecular Mass 185.565 g·mol−1
Heat of Formation -392.2 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 181.61 Å 3
Surface Area 181.3 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(3h)-benzoxazolone, 5-chloro-6-hydroxy-
  • 2(3h)-benzoxazolone, 5-chloro-6-hydroxy- (9ci)
  • 2-benzoxazolinone, 5-chloro-6-hydroxy-
  • 5-chloro-6-hydroxy-2(3h)-benzoxazolone
  • 5-chloro-6-hydroxy-2-benzoxazolinone
  • 5-chloro-6-hydroxy-3h-1,3-benzoxazol-2-one
  • 5-chloro-6-hydroxybenzoxazone
  • 6-hydroxychlorzoxazone
CAS Number(s)
  • 1750-45-4
InChIKey AGLXDWOTVQZHIQ-UHFFFAOYSA-N
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