3-Bromo-2-Buten-2-Yl Phenylacetate

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Properties Simple | Detailed

Formula C12H13BrO2
IUPAC Name [(e)-2-bromo-1-methyl-prop-1-enyl] 2-phenylacetate
Molecular Mass 269.134 g·mol−1
Heat of Formation -265.7 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 278.91 Å 3
Surface Area 246.3 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phenylacetic acid [(e)-2-bromo-1-methyl-prop-1-enyl] ester
  • 2-phenylacetic acid [(e)-2-bromo-1-methylprop-1-enyl] ester
  • 3-bbyp
  • [(e)-2-bromo-1-methyl-prop-1-enyl] 2-phenylacetate
  • [(e)-3-bromobut-2-en-2-yl] 2-phenylacetate
  • [(e)-3-bromobut-2-en-2-yl] 2-phenylethanoate
  • benzeneacetic acid, 2-bromo-1-methyl-1-propenyl ester, (e)-
CAS Number(s)
  • 81214-87-1
InChIKey LNVRLHPFTFZXME-MDZDMXLPSA-N
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Elements H C O Br