2-(3,4-Dichlorobenzyl)-5-Hydroxy-6-Oxo-1,6-Dihydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C12H8Cl2N2O4
IUPAC Name 2-[(3,4-dichlorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid
Molecular Mass 315.109 g·mol−1
Heat of Formation -541.8 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 316.72 Å 3
Surface Area 290.54 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey OZDSTVKQUHMIRA-UHFFFAOYSA-N
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