4-Bromo-6-(6-Hydroxy-1,2-Benzoxazol-3-Yl)-1,3-Benzenediol

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Properties Simple | Detailed

Formula C13H8BrNO4
IUPAC Name 4-bromo-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol
Molecular Mass 322.111 g·mol−1
Heat of Formation -293.8 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 288.76 Å 3
Surface Area 267.49 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey LZACPHWPRDKUPK-UHFFFAOYSA-N
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Elements H C Br O N