4-(4-Oxo-1,4-Dihydro-2-Quinazolinyl)Benzonitrile

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Properties Simple | Detailed

Formula C15H9N3O+
IUPAC Name 4-(4-oxoquinazolin-2-yl)benzonitrile
Molecular Mass 247.251 g·mol−1
Heat of Formation 239.7 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 283.34 Å 3
Surface Area 268.94 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-(4-keto-1h-quinazolin-2-yl)benzonitrile
  • oprea1_032242
InChIKey KINPFEIFSJMYNL-UHFFFAOYSA-N
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