4-[(1-Hydroxy-1,3-Dihydro-2,1-Benzoxaborol-5-Yl)Oxy]Phthalonitrile

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Properties Simple | Detailed

Formula C15H9BN2O3
IUPAC Name 4-[(1-hydroxy-3h-2,1-benzoxaborol-5-yl)oxy]phthalonitrile
Molecular Mass 276.055 g·mol−1
Heat of Formation -271.2 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 317.64 Å 3
Surface Area 296.64 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey UBMGTTRDNUKZMT-UHFFFAOYSA-N
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