3-Acetoxy-5-Bromoindole

Molecule SVG Image

Properties Simple | Detailed

Formula C10H8BrNO2
IUPAC Name (5-bromoindol-1-ium-3-yl) acetate
Molecular Mass 254.080 g·mol−1
Heat of Formation -151.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 231.51 Å 3
Surface Area 225.86 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (5-bromo-1h-indol-3-yl) acetate
  • (5-bromo-1h-indol-3-yl) ethanoate
  • 1h-indol-3-ol, 5-bromo-, acetate (ester)
  • 5-bromo-1h-indol-3-yl acetate
  • 5-bromoindoxyl acetate
  • acetic acid (5-bromo-1h-indol-3-yl) ester
  • o-acetyl-5-bromoindoxyl
CAS Number(s)
  • 17357-14-1
InChIKey KFTGECHXNQBTNZ-UHFFFAOYSA-N
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Elements H C O Br N