(2-Butyl-1-Benzofuran-3-Yl){4-[3-(Dimethylamino)Propoxy]-3,5-Diiodophenyl}Methanone

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Properties Simple | Detailed

Formula C24H27I2NO3
IUPAC Name (2-butylbenzofuran-3-yl)-[4-[3-(dimethylamino)propoxy]-3,5-diiodo-phenyl]methanone
Molecular Mass 631.285 g·mol−1
Heat of Formation -137.1 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 570.31 Å 3
Surface Area 474.63 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2-butyl-1-benzofuran-3-yl)-[4-(3-dimethylaminopropoxy)-3,5-diiodo-phenyl]methanone
  • (2-butyl-1-benzofuran-3-yl)-[4-(3-dimethylaminopropoxy)-3,5-diiodophenyl]methanone
  • (2-butyl-3-benzofuranyl)-[4-(3-dimethylaminopropoxy)-3,5-diiodophenyl]methanone
  • (2-butylbenzofuran-3-yl)-[4-(3-dimethylaminopropoxy)-3,5-diiodo-phenyl]methanone
  • butyl-2-(diiodo-3,5-gamma-dimethylaminopropoxy-4-benzoyl)-3-benzofuran
  • l 6727
  • l-6727
  • methanone, (2-butyl-3-benzofuranyl)(4-(3-(dimethylamino)propoxy)-3,5-diiodophenyl)-
CAS Number(s)
  • 77828-26-3
InChIKey DPWAECJNVDGEFC-UHFFFAOYSA-N
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