2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-5-phenyl-
Basic information
- CAS
3120-27-2- Standard SMILES
O=C1NC(=O)C(Cl)(c2ccccc2)C(=O)N1- InChIKey
HWZNRGRZWHGMPO-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O3
- Average molar mass
- 238.63 g/mol
- Monoisotopic mass
- 238.0145198
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-5-phenyl-
- IUPAC
- 5-chloro-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
3120-27-2NSC1425702,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-5-phenyl-DTXSID80953287NSC-142570DS-0035645-Chloro-4,6-dihydroxy-5-phenylpyrimidin-2(5H)-one
Database identifiers
- CAS
3120-27-2- PubChem CID
- 285569
- DTXSID
DTXSID80953287
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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