5613-26-3 Purity
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Specification
The molecular formula of Brallobarbital is C10H11BrN2O3.
Brallobarbital was created on March 27, 2005, and last modified on December 30, 2023.
The IUPAC Name of Brallobarbital is 5-(2-bromoprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
The InChIKey of Brallobarbital is DYODAJAEQDVYFX-UHFFFAOYSA-N.
The canonical SMILES representation of Brallobarbital is C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br.
The molecular weight of Brallobarbital is 287.11 g/mol.
Brallobarbital has 2 hydrogen bond donor counts.
The exact mass of Brallobarbital is 285.99530 g/mol.
The topological polar surface area of Brallobarbital is 75.3 Ų.
Brallobarbital has 4 rotatable bond counts.