5-(3,4-Dichlorophenyl)-5-Ethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C12H10Cl2N2O3
IUPAC Name 5-(3,4-dichlorophenyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 301.125 g·mol−1
Heat of Formation -532.0 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 309.53 Å 3
Surface Area 272.33 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(3,4-dichlorophenyl)-5-ethyl-
  • 5-(3,4-dichlorophenyl)-5-ethyl-barbituric acid
  • 5-(3,4-dichlorophenyl)-5-ethylbarbituric acid
  • 5-(3,4-dichlorophenyl)-5-ethylhexahydropyrimidine-2,4,6-trione
  • barbituric acid, 5-(3,4-dichlorophenyl)-5-ethyl-
  • dichlorophenobarbital
CAS Number(s)
  • 23256-01-1
InChIKey HVRPBNFWGWXETE-UHFFFAOYSA-N
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Elements H C N O Cl