α-Bromocinnamaldehyde

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Properties Simple | Detailed

Formula C9H7BrO
IUPAC Name (z)-2-bromo-3-phenyl-prop-2-enal
Molecular Mass 211.055 g·mol−1
Heat of Formation 56.8 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 199.41 Å 3
Surface Area 193.85 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry Cs
Synonyms
  • (z)-2-bromo-3-phenyl-acrolein
  • (z)-2-bromo-3-phenyl-prop-2-enal
  • (z)-2-bromo-3-phenylprop-2-enal
  • 2-bromo-3-phenyl-2-propenal
  • 2-bromo-3-phenyl-acrolein
  • 2-bromo-3-phenyl-prop-2-enal
  • 2-bromo-3-phenylprop-2-enal
  • 2-bromocinnamaldehyde
  • 2-propenal, 2-bromo-3-phenyl- (9ci)
  • 2-propenal, 2-bromo-3-phenyl-, (z)-
  • alpha-bromocinnamic aldehyde
  • b 36
  • b 37 (van)
  • bromocinnamal
  • cinnamaldehyde, alpha-bromo-
CAS Number(s)
  • 33603-90-6
InChIKey WQRWNOKNRHCLHV-TWGQIWQCSA-N
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Elements H C O Br