(2-Phenyl-1-Butene-1,1-Diyl)Di-4,1-Phenylene Bis(3-Bromopropanoate)

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Properties Simple | Detailed

Formula C28H26Br2O4
IUPAC Name [4-[(e)-1-[4-(2-bromoacetyl)oxyphenyl]-2-phenyl-but-1-en-3-ynyl]phenyl] 3-bromoprop-2-ynoate
Molecular Mass 586.312 g·mol−1
Heat of Formation -454.5 ± 16.7 kJ·mol−1
Dipole Moment 0.39 ± 1.08 D
Volume 601.9 Å 3
Surface Area 502.48 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-bbppbe
  • 1,1-bis(4-(3-bromopropionyloxyphenyl))-2-phenylbut-1-ene
  • 3-bromopropanoic acid [4-[1-[4-(3-bromo-1-oxopropoxy)phenyl]-2-phenylbut-1-enyl]phenyl] ester
  • 3-bromopropionic acid [4-[1-[4-(3-bromopropanoyloxy)phenyl]-2-phenyl-but-1-enyl]phenyl] ester
  • [4-[1-[4-(3-bromopropanoyloxy)phenyl]-2-phenyl-but-1-enyl]phenyl] 3-bromopropanoate
  • propanoic acid, 3-bromo-, (2-phenyl-1-butenylidene)di-4,1-phenylene ester
CAS Number(s)
  • 110008-59-8
InChIKey UYSSWWJEIFIMLY-UHFFFAOYSA-N
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Elements H C O Br