5-Bromo-3-[(2R)-2-Butanyl]-6-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H13BrN2O2
IUPAC Name 5-bromo-6-methyl-3-[(1r)-1-methylpropyl]-1h-pyrimidine-2,4-dione
Molecular Mass 261.116 g·mol−1
Heat of Formation -400.3 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 254.09 Å 3
Surface Area 231.92 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey CTSLUCNDVMMDHG-RXMQYKEDSA-N
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Elements H C O Br N