2-Bromobenzonitrile

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Properties Simple | Detailed

Formula C7H4BrN
IUPAC Name 2-bromobenzonitrile
Molecular Mass 182.017 g·mol−1
Heat of Formation 247.2 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 163.01 Å 3
Surface Area 165.12 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-bromo-2-cyanobenzene
  • benzonitrile, 2-bromo-
  • benzonitrile, o-bromo-
  • benzonitrile, o-bromo- (8ci)
  • o-bromobenzonitrile
  • o-bromocyanobenzene
CAS Number(s)
  • 2042-37-7
InChIKey AFMPMSCZPVNPEM-UHFFFAOYSA-N
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Elements H C Br N