(6S)-4-Fluoro-6-Hydroperoxy-6-Hydroxy-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C6H5FO4
IUPAC Name (6s)-4-fluoro-6-hydroperoxy-6-hydroxy-cyclohexa-2,4-dien-1-one
Molecular Mass 160.100 g·mol−1
Heat of Formation -468.3 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 162.75 Å 3
Surface Area 164.94 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
InChIKey PXCVJIFNQFIHTP-LURJTMIESA-N
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Elements H C O F