2,6-Dibromo-4-Cyanophenyl Octanoate

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Properties Simple | Detailed

Formula C15H17Br2NO2
IUPAC Name (2,6-dibromo-4-cyano-phenyl) octanoate
Molecular Mass 403.109 g·mol−1
Heat of Formation -219.3 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 382.78 Å 3
Surface Area 353.41 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2,6-dibromo-4-cyanophenyl) octanoate
  • 3,5-dibromo-4-hydroxybenzonitrile octanoate
  • 3,5-dibromo-4-octanoyloxy-benzonitrile
  • 4-cyano-2,6-dibromophenyl octanoate
  • benzonitrile, 3,5-dibromo-4-octanoyloxy-
  • brominal w
  • bromoxynil octanoate
  • bromoxynil octanoic acid ester
  • bromoxynil-octanoate
  • caprylic acid (2,6-dibromo-4-cyano-phenyl) ester
  • caswell no. 119a
  • epa pesticide chemical code 035302
  • nph 1320
  • octanoic acid (2,6-dibromo-4-cyanophenyl) ester
  • octanoic acid ester of 3,5-dibromo-4-hydroxybenzonitrile
  • octanoic acid, 2,6-dibromo-4-cyanophenyl ester
  • octanoic acid, ester with 3,5-dibromo-4-hydroxybenzonitrile
  • rp-16272
CAS Number(s)
  • 1689-99-2
  • 33964-24-8
  • 86702-80-9
InChIKey DQKWXTIYGWPGOO-UHFFFAOYSA-N
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Elements H C O Br N