5-Bromo-N-[(2S)-2,3-Dihydroxypropoxy]-3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)Amino]Benzamide

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Formula C16H13BrF3IN2O4
IUPAC Name 5-bromo-n-[(2s)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodo-anilino)benzamide
Molecular Mass 561.089 g·mol−1
Heat of Formation -838.8 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 451.1 Å 3
Surface Area 400.06 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
  • 5-bromo-n-[(2s)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]benzamide
InChIKey XXSSGBYXSKOLAM-QMMMGPOBSA-N
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Elements C F I H O N Br