4-(7-Bromo-5-Hydroxy-1,3-Benzoxazol-2(3H)-Ylidene)-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C13H8BrNO3
IUPAC Name 4-(7-bromo-5-hydroxy-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one
Molecular Mass 306.111 g·mol−1
Heat of Formation -125.3 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 282.29 Å 3
Surface Area 266.16 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-(7-bromo-5-hydroxy-3h-1,3-benzoxazol-2-ylidene)-1-cyclohexa-2,5-dienone
  • 4-(7-bromo-5-hydroxy-3h-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one
InChIKey IVFWABSHZFOMIG-UHFFFAOYSA-N
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Elements H C O Br N