4-Nitrobenzonitrile

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Properties Simple | Detailed

Formula C7H4N2O2
IUPAC Name 4-nitrobenzonitrile
Molecular Mass 148.119 g·mol−1
Heat of Formation 214.9 ± 16.7 kJ·mol−1
Dipole Moment 0.95 ± 1.08 D
Volume 164.49 Å 3
Surface Area 170.93 Å 2
HOMO Energy -11.18 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C2v
Synonyms
  • 4-cyanonitrobenzene
  • benzonitrile, 4-nitro-
  • benzonitrile, p-nitro-
  • p-cyanonitrobenzene
  • p-nitrobenzonitrile
CAS Number(s)
  • 619-72-7
InChIKey NKJIFDNZPGLLSH-UHFFFAOYSA-N
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