N-[(1R,2R)-1,3-Dihydroxy-1-(4-Nitrophenyl)-2-Propanyl]Acetamide

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Properties Simple | Detailed

Formula C11H14N2O5
IUPAC Name n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Molecular Mass 254.239 g·mol−1
Heat of Formation 1294.8 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 257.36 Å 3
Surface Area 247.35 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -3.27 ± eV
Point Group Symmetry C1
Synonyms
  • clc
  • n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
  • n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]ethanamide
  • n-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
  • n-[(1r,2r)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]acetamide
  • nsc63859
  • zinc00174039
CAS Number(s)
  • 4618-99-9
InChIKey PIVQDUYOEIAFDM-GHMZBOCLSA-N
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