Pyrrolnitrin

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Properties Simple | Detailed

Formula C10H6Cl2N2O2
IUPAC Name 4-chloro-3-(3-chloro-2-nitro-phenyl)-2h-pyrrol-1-ium-2-ylium
Molecular Mass 257.073 g·mol−1
Heat of Formation 128.1 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 256.86 Å 3
Surface Area 231.7 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)-
  • 3-chloro-4-(2'-nitro-3'-chlorophenyl)pyrrole
  • 3-chloro-4-(3-chloro-2-nitro-phenyl)-1h-pyrrole
  • 3-chloro-4-(3-chloro-2-nitrophenyl)-1h-pyrrole
  • 3-chloro-4-(3-chloro-2-nitrophenyl)pyrrole
  • d01094
  • fr 005759
  • pirrolnitrin
  • pyroace
  • pyrollnitrin
  • pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)-
  • pyrrolnitrica
  • pyrrolnitrin (jp15/usan/inn)
  • pyrrolnitrin microbial
  • pyrrolnitrine
CAS Number(s)
  • 1018-71-9
InChIKey QJBZDBLBQWFTPZ-UHFFFAOYSA-N
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Elements H C N O Cl