Basic information
- CAS
89980-82-5- Standard SMILES
C=C(Br)CC1(C)C(=O)NC(=O)NC1=O- InChIKey
ZWUXEQTWYAKGIA-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O3
- Average molar mass
- 261.07 g/mol
- Monoisotopic mass
- 259.97965
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-bromoallyl)-5-methyl-
- IUPAC
- 5-(2-bromoprop-2-enyl)-5-methyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-(2-BROMOALLYL)-5-METHYL-89980-82-5BRN 05227715-(2-Bromoallyl)-5-methylbarbituric acid5-Methyl-5-(2-bromoallyl)barbituric acidDTXSID502379655-(2-bromoprop-2-en-1-yl)-5-methyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
89980-82-5- PubChem CID
- 56028
- DTXSID
DTXSID50237965- Nikkaji
- J62.423C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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