2-(4-Bromophenyl)-4(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C14H9BrN2O+
IUPAC Name 2-(4-bromophenyl)quinazolin-3-ium-4-one
Molecular Mass 301.138 g·mol−1
Heat of Formation 123.5 ± 16.7 kJ·mol−1
Dipole Moment 1.06 ± 1.08 D
Volume 286.35 Å 3
Surface Area 269.19 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry Cs
Synonyms
  • oprea1_095695
CAS Number(s)
  • 5234-83-3
InChIKey NRCCYFAMXZIJSC-UHFFFAOYSA-N
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Elements H C Br O N