6-Chloro-2-(Chloromethyl)-4-Phenylquinazoline 3-Oxide

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Properties Simple | Detailed

Formula C15H10Cl2N2O
IUPAC Name 6-chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazolin-3-ium
Molecular Mass 305.159 g·mol−1
Heat of Formation 2048.1 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 298.16 Å 3
Surface Area 267.45 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -3.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloromethyl-4-phenyl-6-chloroquinazoline-3-oxide
  • 6-chloro-2-(chloromethyl)-3-oxido-4-phenyl-quinazolin-3-ium
  • 6-chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium
  • cmpcqo
  • quinazoline, 6-chloro-2-(chloromethyl)-4-phenyl-, 3-oxide
CAS Number(s)
  • 5958-24-7
InChIKey KFDNKXWSTFABQT-UHFFFAOYSA-N
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Elements C N O Cl