Chloroacetyl Isocyanate

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Properties Simple | Detailed

Formula C3H2ClNO2
IUPAC Name 2-chloroacetyl isocyanate
Molecular Mass 119.506 g·mol−1
Heat of Formation -299.9 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 122.56 Å 3
Surface Area 136.67 Å 2
HOMO Energy -11.30 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-chloro-1-isocyanato-ethanone
  • 2-chloro-1-isocyanatoethanone
  • acetyl isocyanate, chloro-
  • chloroacetyl isocyante
  • snxhcfhai[zyp@
CAS Number(s)
  • 4461-30-7
InChIKey MOVMEFHWBOWMFU-UHFFFAOYSA-N
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Elements H C N O Cl