(3S)-3-[2-(1,3-Benzodioxol-5-Yl)-2-Oxoethyl]-4-Bromo-3-Hydroxy-5-Methyl-1,3-Dihydro-2H-Indol-2-One

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Properties Simple | Detailed

Formula C18H14BrNO5
IUPAC Name (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-4-bromo-3-hydroxy-5-methyl-indolin-2-one
Molecular Mass 404.211 g·mol−1
Heat of Formation -562.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 387.95 Å 3
Surface Area 336.74 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-4-bromo-3-hydroxy-5-methyl-oxindole
  • (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-4-bromo-3-hydroxy-5-methyl-1h-indol-2-one
  • (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-4-bromo-3-hydroxy-5-methyl-indolin-2-one
  • (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-bromo-3-hydroxy-5-methyl-1h-indol-2-one
  • (3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-bromo-3-hydroxy-5-methyl-2-indolinone
InChIKey SJXSNMXBXJIRLV-SFHVURJKSA-N
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Elements H C Br O N