2D Chemical StructureDatabase ID 43157114
No renderable structure data available
SMILES
CCC(=O)C(C#N)C1=CC(=CC=C1)C(F)(F)FStructure data verified · Database ID 43157114
Chemical Intermediate
3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile
CAS 77186-59-5Product ID 514927
| Intermediates | 3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 77186-59-5 |
| Database ID | 43157114 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile
3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile (CAS 77186-59-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number77186-59-5
Database ID43157114
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 43157114
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CCC(=O)C(C#N)C1=CC(=CC=C1)C(F)(F)F
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 77186-59-53-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile
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