1-(β,Gamma-Epoxypropyl)-8-Bromotheobromine

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Properties Simple | Detailed

Formula C10H11BrN4O3
IUPAC Name 8-bromo-3,7-dimethyl-1-[[(2r)-oxiran-2-yl]methyl]purine-2,6-dione
Molecular Mass 315.123 g·mol−1
Heat of Formation 935.3 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 270.54 Å 3
Surface Area 254.55 Å 2
Point Group Symmetry Cs
InChIKey DERCBYABBPFWFG-RXMQYKEDSA-N
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Elements C O Br N