Isocyanobenzene

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Properties Simple | Detailed

Formula C7H6N
IUPAC Name isocyanobenzene
Molecular Mass 104.129 g·mol−1
Heat of Formation 286.3 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 139.2 Å 3
Surface Area 148.09 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C2v
Synonyms
  • benzene, isocyano-
  • c6h5-nc
  • phenyl isocyanide
  • phenylisocyanide
CAS Number(s)
  • 931-54-4
InChIKey RCIBIGQXGCBBCT-UHFFFAOYSA-N
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Elements H C N