Basic information
- CAS
64382-73-6- Standard SMILES
N#CCCn1cc(F)c(=O)n(CCC#N)c1=O- InChIKey
HOQZPIGVSPTRIJ-UHFFFAOYSA-N- Molecular formula
- C10H9FN4O2
- Average molar mass
- 236.2 g/mol
- Monoisotopic mass
- 236.0709537
Names & identifiers
- Preferred name
- 3,3'-(5-Fluoro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)dipropanenitrile
- IUPAC
- 3-[3-(2-cyanoethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]propanenitrile
Names & synonyms
64382-73-6SCHEMBL11095849DTXSID505125423,3'-(5-Fluoro-2,4-dioxopyrimidine-1,3(2H,4H)-diyl)dipropanenitrile
Database identifiers
- CAS
64382-73-6- PubChem CID
- 12899208
- DTXSID
DTXSID50512542
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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