N-[(1R,2S)-1-(1-Benzofuran-2-Yl)-1,3-Dihydroxy-2-Propanyl]-2,2-Dichloroacetamide

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Properties Simple | Detailed

Formula C13H13Cl2NO4
IUPAC Name n-[(1s,2r)-2-(benzofuran-2-yl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloro-acetamide
Molecular Mass 318.153 g·mol−1
Heat of Formation -610.1 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 331.62 Å 3
Surface Area 280.33 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-benzofuranyl)-2-(dichloroacetamido)propane-1,3-diol
  • 2-dichloroacetamido-1-(2-benzofuranyl)propane-1,3-diol
  • acetamide, n-(2-(2-benzofuranyl)-2-hydroxy-1-(hydroxymethyl)ethyl)-2,2-dichloro-, (r*,s*)-(+-)-
  • bfdca-poh2
  • n-[(1r,2s)-1-(1-benzofuran-2-yl)-1,3-dihydroxy-propan-2-yl]-2,2-dichloro-ethanamide
  • n-[(1r,2s)-1-(1-benzofuran-2-yl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
  • n-[(1s,2r)-2-(2-benzofuranyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloroacetamide
  • n-[(1s,2r)-2-(benzofuran-2-yl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloro-acetamide
  • n-[(1s,2r)-2-(benzofuran-2-yl)-2-hydroxy-1-methylol-ethyl]-2,2-dichloro-acetamide
CAS Number(s)
  • 74599-88-5
InChIKey FXNSMHZTLITRNN-GZMMTYOYSA-N
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