1-{(2R,3E)-4-[3-(4-Fluorophenoxy)Phenyl]-3-Buten-2-Yl}-1-Hydroxyurea

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Properties Simple | Detailed

Formula C17H17FN2O3
IUPAC Name 1-[(e,1r)-3-[3-(4-fluorophenoxy)phenyl]-1-methyl-allyl]-1-hydroxy-urea
Molecular Mass 316.327 g·mol−1
Heat of Formation -350.4 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 376.91 Å 3
Surface Area 337.29 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(e,1r)-3-[3-(4-fluorophenoxy)phenyl]-1-methyl-prop-2-enyl]-1-hydroxy-urea
  • 1-[(e,1r)-3-[3-(4-fluorophenoxy)phenyl]-1-methylprop-2-enyl]-1-hydroxyurea
  • 1-[(e,2r)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxy-urea
  • 1-[(e,2r)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
  • 225c
  • n-(3-(3-(4-fluorophenoxy)phenyl)-1-methyl-2-propenyl)-n-hydroxyurea (r-(e))-
  • urea, n-(3-(3-(4-fluorophenoxy)phenyl)-1-methyl-2-propenyl)-n-hydroxy-, (r-(e))-
CAS Number(s)
  • 132339-70-9
InChIKey UAIYNMRLUHHRMF-BTDICHCPSA-N
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