2,4-Dichloro-6-(5-Chloro-3-Nitro-1H-Pyrrol-2-Yl)Phenol

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Properties Simple | Detailed

Formula C10H5Cl3N2O3
IUPAC Name 2,4-dichloro-6-(5-chloro-3-nitro-pyrrol-1-ium-2-ylium-2-yl)phenol
Molecular Mass 307.517 g·mol−1
Heat of Formation -95.3 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 292.98 Å 3
Surface Area 269.49 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • phenol, 2,4-dichloro-6-(5-chloro-3-nitro-1h-pyrrol-2-yl)-
  • pyrrolomycin e
CAS Number(s)
  • 87376-16-7
InChIKey SGEOBHBCFXDBHD-UHFFFAOYSA-N
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Elements H C N O Cl