4(3H)-Quinazolinone, 6-Chloro-2-[5-Chloro-2-(Phosphonooxy)Phenyl]-

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Properties Simple | Detailed

Formula C14H10Cl2N2O5P+
IUPAC Name [4-chloro-2-(6-chloro-4-oxo-quinazolin-1-ium-2-yl)phenyl] dihydrogen phosphate
Molecular Mass 388.119 g·mol−1
Heat of Formation -956.9 ± 16.7 kJ·mol−1
Dipole Moment 10.97 ± 1.08 D
Volume 378.39 Å 3
Surface Area 338.64 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone
  • 4(1h)-quinazolinone, 6-chloro-2-(5-chloro-2-(phosphonooxy)phenyl)-
  • [4-chloro-2-(6-chloro-4-keto-1h-quinazolin-2-yl)phenyl] dihydrogen phosphate
  • [4-chloro-2-(6-chloro-4-oxo-1h-quinazolin-2-yl)phenyl] dihydrogen phosphate
  • cppcq
  • elf-97
CAS Number(s)
  • 147394-94-3
InChIKey IXZONVAEGFOVSF-UHFFFAOYSA-N
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Elements C Cl H O N P