(3-Chloro-5-Hexyl-2,6-Dihydroxyphenyl)(4,5-Dichloro-1H-Pyrrol-2-Yl)Methanone

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Properties Simple | Detailed

Formula C17H18Cl3NO3
IUPAC Name (3-chloro-5-hexyl-2,6-dihydroxy-phenyl)-(4,5-dichloropyrrol-1-ium-2-ylium-2-yl)methanone
Molecular Mass 390.689 g·mol−1
Heat of Formation -516.5 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 432.85 Å 3
Surface Area 387.02 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (3-chloro-5-hexyl-2,6-dihydroxy-phenyl)-(4,5-dichloro-1h-pyrrol-2-yl)methanone
InChIKey VPAMZQVPJOAFJG-UHFFFAOYSA-N
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Elements H C N O Cl