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

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Properties Simple | Detailed

Formula C11H7Cl2NO3
IUPAC Name (4,5-dichloropyrrol-1-ium-2-ylium-2-yl)-(2,6-dihydroxyphenyl)methanone
Molecular Mass 272.084 g·mol−1
Heat of Formation -368.4 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 270.25 Å 3
Surface Area 253.59 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • (4,5-dichloro-1h-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
  • ketone, 4,5-dichloropyrrol-2-yl 2,6-dihydroxyphenyl
  • methanone, (4,5-dichloro-1h-pyrrol-2-yl) (2,6-dihydroxyphenyl)-
  • methanone, (4,5-dichloro-1h-pyrrol-2-yl)(2,6-dihydroxyphenyl)-
  • methanone, (4,5-dichloro-1h-pyrrol-2-yl)(2,6-dihydroxyphenyl)- (9ci)
  • pyoluteorin
CAS Number(s)
  • 25683-07-2
InChIKey JPGWTZORMBTNMF-UHFFFAOYSA-N
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