(6E)-6-{4-[(2-Chlorophenyl)Amino]-2(1H)-Quinazolinylidene}-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C20H14ClN3O
IUPAC Name 6-[4-(2-chloroanilino)-1h-quinazolin-3-ium-2-yl]cyclohexa-2,4-dien-1-one
Molecular Mass 347.798 g·mol−1
Heat of Formation 232.9 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 386.78 Å 3
Surface Area 343.2 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (6e)-6-[4-[(2-chlorophenyl)amino]-1h-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
  • 6-[4-[(2-chlorophenyl)amino]-1h-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
  • 6-[4-[(2-chlorophenyl)amino]-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
  • neuro1_000237
  • oprea1_461074
  • stock2s-43729
InChIKey XRYKEDVLEAYCKO-XSFVSMFZSA-N
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Elements H C N O Cl