Sb 204269-Eo

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Properties Simple | Detailed

Formula C20H20FNO4
IUPAC Name n-[(3r,4s)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-4-fluoro-benzamide
Molecular Mass 357.376 g·mol−1
Heat of Formation -760.7 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 418.88 Å 3
Surface Area 360.66 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • carabersat
  • n-((3r,4s)-6-acetyl-3-hydroxy-2,2-dimethyl-4-chromanyl)-p-flurobenzamide.
  • n-[(3r,4s)-6-acetyl-3-hydroxy-2,2-dimethyl-4-chromanyl]-4-fluorobenzamide
  • n-[(3r,4s)-6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-4-fluoro-benzamide
  • n-[(3r,4s)-6-acetyl-3-hydroxy-2,2-dimethylchroman-4-yl]-4-fluorobenzamide
  • n-[(3r,4s)-6-ethanoyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]-4-fluoro-benzamide
  • sb-204269
  • sb-204269-eo
CAS Number(s)
  • 184653-84-7
InChIKey RCLXAPJEFHPYEG-ZWKOTPCHSA-N
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