3-Ethyl-1-(3-(Trifluoromethyl)Phenyl)Pyrido(2,3-D)Pyrimidine-2,4(1H,3H)-Dione

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Properties Simple | Detailed

Formula C16H12F3N3O2++
IUPAC Name 3-ethyl-1-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
Molecular Mass 335.281 g·mol−1
Heat of Formation -774.0 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 355.48 Å 3
Surface Area 317.93 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-[3-(trifluoromethyl)phenyl]pyrido[3,2-e]pyrimidine-2,4-dione
  • 3-ethyl-1-[3-(trifluoromethyl)phenyl]pyrido[3,2-e]pyrimidine-2,4-quinone
  • hn 37
  • hn-37
  • pyrido(2,3-d)pyrimidine-2,4(1h,3h)-dione, 3-ethyl-1-(3-(trifluoromethyl)phenyl)-
CAS Number(s)
  • 51700-96-0
InChIKey GJLDISAKXNHGOC-UHFFFAOYSA-N
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