2-(4-(4-Chloro-2-Fluorophenoxy)Phenyl)Pyrimidine-4-Carboxamide

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Properties Simple | Detailed

Formula C17H11ClFN3O2
IUPAC Name 2-[4-(4-chloro-2-fluoro-phenoxy)phenyl]pyrimidine-4-carboxamide
Molecular Mass 343.740 g·mol−1
Heat of Formation -157.5 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 369.01 Å 3
Surface Area 337.37 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(4-chloro-2-fluorophenoxy)phenyl]-4-pyrimidinecarboxamide
  • 2-[4-(4-chloro-2-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
InChIKey TVELBYZQRWPJQR-UHFFFAOYSA-N
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Elements C F H Cl O N