2-(1,2-Benzisoxazol-3-Yl)-3-(2-(2-Piperidinoethoxy)Phenyl)Acrylonitrile

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Properties Simple | Detailed

Formula C23H23N3O2
IUPAC Name (z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(1-piperidyl)ethoxy]phenyl]prop-2-enenitrile
Molecular Mass 373.448 g·mol−1
Heat of Formation 252.7 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 463.42 Å 3
Surface Area 357.79 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-(1,2-benzoxazol-3-yl)-3-[2-(2-piperidin-1-ylethoxy)phenyl]prop-2-enenitrile
  • (z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(1-piperidyl)ethoxy]phenyl]prop-2-enenitrile
  • (z)-2-indoxazen-3-yl-3-[2-(2-piperidinoethoxy)phenyl]acrylonitrile
  • 1,2-benzisoxazole-3-acetonitrile, alpha-((2-(2-(1-piperidinyl)ethyl)phenyl)methylene)-, monohydrochloride, (e)-
  • sx 284
CAS Number(s)
  • 84260-62-8
InChIKey IWUZCKYZKUGJOZ-KNTRCKAVSA-N
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