2-[(4-Ethynyl-2-Fluorophenyl)Amino]-3,4-Difluoro-N-(2-Hydroxyethoxy)Benzamide

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Properties Simple | Detailed

Formula C17H13F3N2O3
IUPAC Name 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-n-(2-hydroxyethoxy)benzamide
Molecular Mass 350.292 g·mol−1
Heat of Formation -511.0 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 376.86 Å 3
Surface Area 345.41 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-ethynyl-2-fluoro-phenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide
InChIKey AMNKRBRQQAMACZ-UHFFFAOYSA-N
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