Basic information
- CAS
13593-34-5- Standard SMILES
O=c1[nH]c(Cl)c(F)c(=O)n1Cc1ccccc1- InChIKey
WWMXHPGHABVOCK-UHFFFAOYSA-N- Molecular formula
- C11H8ClFN2O2
- Average molar mass
- 254.64 g/mol
- Monoisotopic mass
- 254.0258334
Names & identifiers
- Preferred name
- 3-Benzyl-6-chloro-5-fluoropyrimidine-2,4(1H,3H)-dione
- IUPAC
- 3-benzyl-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
Names & synonyms
13593-34-5DTXSID005366773-Benzyl-6-chloro-5-fluoropyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
13593-34-5- PubChem CID
- 13319086
- DTXSID
DTXSID00536677
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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