2,6-Dioxo-5-{2-[4-(Trifluoromethyl)Phenyl]Ethyl}-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C14H11F3N2O4++
IUPAC Name 2,6-dioxo-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxylic acid
Molecular Mass 328.243 g·mol−1
Heat of Formation -1277.0 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 339.86 Å 3
Surface Area 304.46 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
InChIKey DDORHAWNAXTQBY-UHFFFAOYSA-P
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