2-[(4-Ethynyl-2-Fluorophenyl)Amino]-3,4-Difluoro-N-(2-Hydroxyethoxy)-5-{(E)-[(2-Hydroxyethoxy)Imino]Methyl}Benzamide

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Formula C20H18F3N3O5
IUPAC Name 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-n-(2-hydroxyethoxy)-5-[(e)-2-hydroxyethoxyiminomethyl]benzamide
Molecular Mass 437.369 g·mol−1
Heat of Formation -698.6 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 457.38 Å 3
Surface Area 416.74 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-ethynyl-2-fluoro-phenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-[(e)-2-hydroxyethoxyiminomethyl]benzamide
  • 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-[(e)-2-hydroxyethoxyiminomethyl]benzamide
InChIKey NLXYHBBGDADWQY-BHGWPJFGSA-N
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