Basic information
- CAS
724-03-8- Standard SMILES
O=C(c1ccc(F)cc1)c1c[nH]c(=O)[nH]c1=O- InChIKey
RFTLXQJGIIQXKQ-UHFFFAOYSA-N- Molecular formula
- C11H7FN2O3
- Average molar mass
- 234.18 g/mol
- Monoisotopic mass
- 234.04407025
Names & identifiers
- Preferred name
- 5-(4-Fluorobenzoyl)pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-(4-fluorobenzoyl)-1H-pyrimidine-2,4-dione
Names & synonyms
5-(4-fluorobenzoyl)pyrimidine-2,4(1h,3h)-dione724-03-85-(4-fluorobenzoyl)-1H-pyrimidine-2,4-dioneNSC76382DTXSID80291555NSC-76382DS-008824
Database identifiers
- CAS
724-03-8- PubChem CID
- 253448
- DTXSID
DTXSID80291555
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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