3-(4-Bromophenyl)-3-Oxopropanal

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Properties Simple | Detailed

Formula C9H7BrO2
IUPAC Name 3-(4-bromophenyl)-3-oxo-propanal
Molecular Mass 227.055 g·mol−1
Heat of Formation -177.1 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 211.2 Å 3
Surface Area 207.59 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-bromophenyl)-3-keto-propionaldehyde
CAS Number(s)
  • 14153-75-4
InChIKey IRCGYNVVGNXQLH-UHFFFAOYSA-N
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Elements H C O Br