2-(Toluene-4-Sulfonyl)-2H-Benzo[D][1,2,3]Diazaborinin-1-Ol

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Properties Simple | Detailed

Formula C14H13BN2O3S
IUPAC Name 1-hydroxy-2-(p-tolylsulfonyl)-2,3,1-benzodiazaborinine
Molecular Mass 300.141 g·mol−1
Heat of Formation -500.8 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 330.08 Å 3
Surface Area 299.87 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydro-1-hydroxy-3-(4-methylphenylsulfonyl)-2,4,1-benzo[e]diazaborine
  • 1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinine
  • benzo[e]diazaborine analog
  • ndt
InChIKey UQIDNSKBUXCODH-UHFFFAOYSA-N
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