2,6-Difluorobenzonitrile

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Properties Simple | Detailed

Formula C7H3F2N
IUPAC Name 2,6-difluorobenzonitrile
Molecular Mass 139.102 g·mol−1
Heat of Formation -155.3 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 150.45 Å 3
Surface Area 156.47 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C2v
Synonyms
  • 2,6-difluoro-benzonitrile
  • bb_sc-4524
  • benzonitrile, 2,6-difluoro-
  • jrd-0121
CAS Number(s)
  • 1897-52-5
InChIKey BNBRIFIJRKJGEI-UHFFFAOYSA-N
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DOI
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Elements H C N F