2-(3-Chloro-4-Fluorobenzyl)-4,5-Dihydroxy-1H-Isoindole-1,3(2H)-Dione

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Properties Simple | Detailed

Formula C15H9ClFNO4
IUPAC Name 2-[(3-chloro-4-fluoro-phenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
Molecular Mass 321.688 g·mol−1
Heat of Formation -689.3 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 331.48 Å 3
Surface Area 296.68 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
InChIKey RZMMKEUISXPWCN-UHFFFAOYSA-N
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Elements C F H Cl O N