3-(2-Hydroxyethyl)-1-[3-(Trifluoromethyl)Phenyl]-2,4(1H,3H)-Quinazolinedione

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Properties Simple | Detailed

Formula C17H13F3N2O3
IUPAC Name 3-(2-hydroxyethyl)-1-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
Molecular Mass 350.292 g·mol−1
Heat of Formation -989.1 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 368.74 Å 3
Surface Area 321.45 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(m-trifluoromethylphenyl)-3-(2'-hydroxyethyl)quinazoline-2,4-dione
  • 1-(m-trifluoromethylphenyl)-3-(2-hydroxyethyl)-quinazoline-2,4(1h,3h)-dione
  • 2,4(1h,3h)-quinazolinedione, 3-(2-hydroxyethyl)-1-(m-(trifluoromethyl)phenyl)-
  • 3-(2-hydroxyethyl)-1-(3-(trifluoromethyl)phenyl)-2,4(1h,3h)-quinazolinedione
  • 3-(2-hydroxyethyl)-1-(3-(trifluoromethyl)phenyl)-2,4(lh,3h)-quinazolinedione
  • 3-(2-hydroxyethyl)-1-[3-(trifluoromethyl)phenyl]quinazoline-2,4-quinone
  • h-88
CAS Number(s)
  • 34929-08-3
InChIKey YKVDSZPXGNPCRO-UHFFFAOYSA-N
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