1-{(3S)-6-[(2,6-Difluorobenzyl)Oxy]-2,3-Dihydro-1-Benzofuran-3-Yl}-1-Hydroxyurea

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Properties Simple | Detailed

Formula C16H14F2N2O4
IUPAC Name 1-[(3s)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydrobenzofuran-3-yl]-1-hydroxy-urea
Molecular Mass 336.290 g·mol−1
Heat of Formation -734.2 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 363.77 Å 3
Surface Area 329.13 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s)-6-(2,6-difluorobenzyl)oxy-2,3-dihydrobenzofuran-3-yl]-1-hydroxy-urea
  • 1-[(3s)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]-1-hydroxy-urea
  • 1-[(3s)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]-1-hydroxyurea
  • 1-[(3s)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydrobenzofuran-3-yl]-1-hydroxy-urea
  • 1-[(3s)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydrobenzofuran-3-yl]-1-hydroxyurea
CAS Number(s)
  • 162750-10-9
InChIKey INZXHTIWZWAZKX-CQSZACIVSA-N
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