2-Bromo-1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrole

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Properties Simple | Detailed

Formula C11H10BrNO2S
IUPAC Name 2-bromo-1-(p-tolylsulfonyl)pyrrol-1-ium-2-ylium
Molecular Mass 300.172 g·mol−1
Heat of Formation -124.8 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 279.62 Å 3
Surface Area 249.22 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-1-(4-methylphenyl)sulfonyl-pyrrole
  • 2-bromo-1-(4-methylphenyl)sulfonylpyrrole
  • 2-bromo-1-(p-toluenesulfonyl)pyrrole
InChIKey DEGWOQDAQOPOEW-UHFFFAOYSA-N
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Elements C H O N S Br