Basic information
- CAS
92022-33-8- Standard SMILES
C=CCC1(c2ccc(Br)cc2)C(=O)NC(=O)NC1=O- InChIKey
AYVQUWQZFPQYIL-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O3
- Average molar mass
- 323.14 g/mol
- Monoisotopic mass
- 321.9953
Names & identifiers
- Preferred name
- BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-
- IUPAC
- 5-(4-bromophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-92022-33-8BRN 05448925-Allyl-5-(p-bromophenyl)barbituric acidAcido 5-allil-5-(p-bromofenil)barbiturico [Italian]Acido 5-allil-5-(p-bromofenil)barbituricoDTXSID602388275-(4-bromophenyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
92022-33-8- PubChem CID
- 56313
- DTXSID
DTXSID60238827- Nikkaji
- J84.812C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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