4-(4'-Bromo-4-Biphenylyl)-2,4-Dioxobutanoic Acid

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Properties Simple | Detailed

Formula C16H11BrO4
IUPAC Name 4-[4-(4-bromophenyl)phenyl]-2,4-dioxo-butanoic acid
Molecular Mass 347.160 g·mol−1
Heat of Formation -425.0 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 347.44 Å 3
Surface Area 318.4 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-4-butanoic acid, 4'-bromo-alpha,gamma-dioxo-
  • 4'-bromo-alpha,gamma-dioxo-(1,1'-biphenyl)-4-butanoic acid
  • 4-(4'-bromo(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid
  • 4-[4-(4-bromophenyl)phenyl]-2,4-diketo-butyric acid
  • 4-bbdb
CAS Number(s)
  • 82760-77-8
InChIKey DTDXWQRLXRCGOQ-UHFFFAOYSA-N
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Elements H C O Br