2-(3,4-Dichlorophenoxy)-5-Nitrobenzonitrile

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Properties Simple | Detailed

Formula C13H6Cl2N2O3
IUPAC Name 2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile
Molecular Mass 309.104 g·mol−1
Heat of Formation 1912.3 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 304.07 Å 3
Surface Area 279.7 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -4.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dichlorophenoxy)-5-nitro-benzonitrile
  • 2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile
  • aids-212053
  • aids212053
  • benzonitrile, 2-(3,4-dichlorophenoxy)-5-nitro-
  • mdl 860
  • mdl-860
  • zinc03506341
CAS Number(s)
  • 78940-62-2
InChIKey QAYKDRUKUZJJSO-UHFFFAOYSA-N
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Elements C N O Cl