Pnb

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Properties Simple | Detailed

Formula C12H9NO2
IUPAC Name 1-nitro-4-phenyl-benzene
Molecular Mass 199.205 g·mol−1
Heat of Formation 169.7 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 232.54 Å 3
Surface Area 225.06 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C2v
Synonyms
  • 1,1'-biphenyl, 4-nitro-
  • 1,1'-biphenyl, nitro-
  • 1-nitro-4-phenylbenzene
  • 4-nitro-1,1'-biphenyl
  • 4-nitrobiphenyl
  • 4-nitrodiphenyl
  • 4-phenyl-nitrobenzene
  • 4-phenylnitrobenzene
  • ba 2794
  • biphenyl, 4-nitro-
  • p-nitrobiphenyl
  • p-nitrodiphenyl
  • p-phenyl-nitrobenzene
  • p-phenylnitrobenzene
CAS Number(s)
  • 28984-85-2
  • 92-93-3
InChIKey BAJQRLZAPXASRD-UHFFFAOYSA-N
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