Basic information
- CAS
91570-85-3- Standard SMILES
CCC1(c2ccc(Br)cc2)C(=O)NC(=O)NC1=O- InChIKey
SGLCADNTJHVTRA-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2O3
- Average molar mass
- 311.13 g/mol
- Monoisotopic mass
- 309.9953
Names & identifiers
- Preferred name
- Barbituric acid, 5-(p-bromophenyl)-5-ethyl-
- IUPAC
- 5-(4-bromophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-(p-BROMOPHENYL)-5-ETHYL-91570-85-3DTXSID50238634RefChem:1077601DTXCID00161125BRN 05441025-(p-Bromophenyl)-5-ethylbarbituric acid5-(4-bromophenyl)-5-ethyl-1,3-diazinane-2,4,6-trioneAcido 5-(p-bromofenil)-5-etilbarbiturico [Italian]Acido 5-(p-bromofenil)-5-etilbarbiturico
Database identifiers
- CAS
91570-85-3- PubChem CID
- 56271
- DTXSID
DTXSID50238634- Nikkaji
- J93.500J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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