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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H10BrN4O3
IUPAC Name 8-bromo-1-(3-hydroxyprop-2-ynyl)-3,7-dimethyl-5h-purin-9-ium-2,6-dione
Molecular Mass 314.115 g·mol−1
Heat of Formation 935.3 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 267.86 Å 3
Surface Area 251.18 Å 2
Point Group Symmetry Cs
InChIKey DERCBYABBPFWFG-RXMQYKEDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O Br N