Basic information
- CAS
91398-23-1- Standard SMILES
CCC1(c2ccccc2Cl)C(=O)NC(=O)NC1=O- InChIKey
GJUGAAIPOITKBH-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O3
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0458199
Names & identifiers
- Preferred name
- BARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL-
- IUPAC
- 5-(2-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(o-Chlorophenyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H11ClN2O3
- Molecular weight
- 0
Names & synonyms
5-(O-Chlorophenyl)-5-ethyl-Barbituric acidBARBITURIC ACID, 5-(o-CHLOROPHENYL)-5-ETHYL-91398-23-1BRN 05464475-(2-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trioneAcido 5-(o-clorofenil)-5-etilbarbiturico [Italian]DTXSID002385435-(o-Chlorophenyl)-5-ethylbarbituric acid5-(2-chloro-phenyl)-5-ethyl-pyrimidine-2,4,6-trione5-(o-Chlorophenyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
91398-23-1- PubChem CID
- 56232
- DTXSID
DTXSID00238543- Nikkaji
- J93.601D
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
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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