Trans-3-Bromocinnamic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C9H7BrO2
IUPAC Name (e)-3-(3-bromophenyl)prop-2-enoic acid
Molecular Mass 227.055 g·mol−1
Heat of Formation -207.7 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 210.91 Å 3
Surface Area 211.58 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3-bromophenyl)-2-propenoic acid
  • (e)-3-(3-bromophenyl)acrylic acid
  • (e)-3-(3-bromophenyl)prop-2-enoic acid
  • 2-propenoic acid, 3-(3-bromophenyl)-
  • 2-propenoic acid, 3-(3-bromophenyl)-, (e)-
  • 3-(3-bromophenyl)-2-propenoic acid
  • 3-(3-bromophenyl)acrylic acid
  • 3-(3-bromophenyl)prop-2-enoic acid
  • 3-bromocinnamic acid
  • 3-bromocinnamic acid, predominantly trans
  • bw a800u
  • cinnamic acid, m-bromo-
  • enamine_005087
  • m-bromocinnamic acid
  • t0515-2991
CAS Number(s)
  • 14473-91-7
  • 32862-97-8
InChIKey YEMUSDCFQUBPAL-SNAWJCMRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br