2-(3-Chloro-4-Fluorobenzyl)-6,7-Dihydroxy-1-Isoindolinone

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Properties Simple | Detailed

Formula C15H11ClFNO3
IUPAC Name 2-[(3-chloro-4-fluoro-phenyl)methyl]-6,7-dihydroxy-isoindolin-1-one
Molecular Mass 307.704 g·mol−1
Heat of Formation -547.9 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 327.17 Å 3
Surface Area 292.33 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-chloro-4-fluoro-benzyl)-6,7-dihydroxy-isoindolin-1-one
  • 2-[(3-chloro-4-fluoro-phenyl)methyl]-6,7-dihydroxy-3h-isoindol-1-one
  • 2-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydroxy-1-isoindolinone
  • 2-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydroxy-3h-isoindol-1-one
InChIKey HBQNDWWKBFCHMH-UHFFFAOYSA-N
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