{3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)Amino]Phenyl}(3-Hydroxy-1-Azetidinyl)Methanone

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Formula C16H12F3IN2O2
IUPAC Name [3,4-difluoro-2-(2-fluoro-4-iodo-anilino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
Molecular Mass 448.178 g·mol−1
Heat of Formation -545.7 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 386.51 Å 3
Surface Area 344.01 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • [3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
  • [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-(3-hydroxy-1-azetidinyl)methanone
  • [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
InChIKey COACPTNNJAFVAN-UHFFFAOYSA-N
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