4-(3-Iodophenyl)-3-Oxobutanenitrile

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Properties Simple | Detailed

Formula C10H8INO
IUPAC Name 4-(3-iodophenyl)-3-oxo-butanenitrile
Molecular Mass 285.081 g·mol−1
Heat of Formation 111.0 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 246.59 Å 3
Surface Area 235.99 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-iodophenyl)-3-keto-butyronitrile
  • benzenebutanenitrile, 3-iodo-.beta.-oxo-
InChIKey KLMBVFZRVZAWFP-UHFFFAOYSA-N
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