[(1R)-1-Isocyanatoethyl]Benzene

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Properties Simple | Detailed

Formula C9H9NO
IUPAC Name [(1r)-1-isocyanatoethyl]benzene
Molecular Mass 147.174 g·mol−1
Heat of Formation -19.8 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 188.25 Å 3
Surface Area 186.53 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-()-1-phenylethyl isocyanate
  • (r)-()-alpha-methylbenzyl isocyanate
InChIKey JJSCUXAFAJEQGB-MRVPVSSYSA-N
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