4-Bromobenzonitrile

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Properties Simple | Detailed

Formula C7H4BrN
IUPAC Name 4-bromobenzonitrile
Molecular Mass 182.017 g·mol−1
Heat of Formation 242.7 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 163.19 Å 3
Surface Area 168.48 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C2v
Synonyms
  • 1-bromo-4-cyanobenzene
  • ah-034/32461003
  • benzonitrile, 4-bromo-
  • benzonitrile, p-bromo-
  • benzonitrile, p-bromo- (8ci)
  • p-bromobenzonitrile
CAS Number(s)
  • 623-00-7
InChIKey HQSCPPCMBMFJJN-UHFFFAOYSA-N
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Elements H C Br N