2-(Fluoromethyl)-3-(2-Methylphenyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C16H13FN2O
IUPAC Name 2-(fluoromethyl)-3-(o-tolyl)quinazolin-4-one
Molecular Mass 268.286 g·mol−1
Heat of Formation -104.7 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 309.02 Å 3
Surface Area 271.66 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(fluoromethyl)-3-(2-methylphenyl)-4-quinazolinone
  • 2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
  • 2-fluoromethyl-3-(o-tolyl)-4(3h)-quinazolinone
  • 4(3h)-quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)- (9ci)
  • 4(3h)-quinazolinone, 2-fluoromethyl-3-(o-tolyl)-
  • hq 355
  • hq-355
CAS Number(s)
  • 37107-06-5
InChIKey PNTJUXFZMHTXRO-UHFFFAOYSA-N
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