4-(2,3-Dichlorophenyl)-1H-Pyrrole-3-Carbonitrile

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Properties Simple | Detailed

Formula C11H6Cl2N2
IUPAC Name 3-(2,3-dichlorophenyl)-2h-pyrrol-1-ium-2-ylium-4-carbonitrile
Molecular Mass 237.085 g·mol−1
Heat of Formation 248.3 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 250.65 Å 3
Surface Area 231.56 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-3-carbonitrile, 4-(2,3-dichlorophenyl)-
  • 3-(2,3-dichlorophenyl)-4-cyanopyrrole
  • 4-cyano-3-(2,3-dichlorophenyl)pyrrole
  • beret
  • cga 142705
  • fenpiclonil
CAS Number(s)
  • 74738-17-3
InChIKey FKLFBQCQQYDUAM-UHFFFAOYSA-N
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DOI
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Elements H C N Cl