(S)-2-(1-Isocyanatoethyl)-6-Methoxynaphthalene

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Properties Simple | Detailed

Formula C14H13NO2
IUPAC Name 2-[(1s)-1-isocyanatoethyl]-6-methoxy-naphthalene
Molecular Mass 227.259 g·mol−1
Heat of Formation -108.2 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 279.69 Å 3
Surface Area 264.05 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1s)-1-isocyanatoethyl]-6-methoxy-naphthalene
  • 2-[(1s)-1-isocyanatoethyl]-6-methoxynaphthalene
  • naphthalene, 2-(1-isocyanatoethyl)-6-methoxy-, (s)-
  • naproxen isocyanate
CAS Number(s)
  • 125836-70-6
InChIKey VUWNJESDDBBAAE-JTQLQIEISA-N
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