Basic information
- CAS
427-18-9- Standard SMILES
CCC1(c2ccc(Cl)cc2)C(=O)NC(=O)NC1=O- InChIKey
XYCJXLSMSSHHTA-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O3
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0458199
Names & identifiers
- Preferred name
- BARBITURIC ACID, 5-(p-CHLOROPHENYL)-5-ETHYL-
- IUPAC
- 5-(4-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-(p-CHLOROPHENYL)-5-ETHYL-427-18-9BRN 06202205-(4-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione5-(p-Chlorophenyl)-5-ethyl-barbituric acidAcido 5-(p-clorofenil)-5-etilbarbiturico [Italian]Acido 5-(p-clorofenil)-5-etilbarbituricoDTXSID30195392
Database identifiers
- CAS
427-18-9- PubChem CID
- 9879
- DTXSID
DTXSID30195392- Nikkaji
- J93.602B
Properties
Computed structural properties
- XLogP
- 2.1
- 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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