2D Chemical StructureDatabase ID 5138353
No renderable structure data available
SMILES
C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#NStructure data verified · Database ID 5138353
Chemical Intermediate
2-(azepan-1-yl)-5-nitrobenzonitrile
CAS 78243-61-5Product ID 517633
| Intermediates | 2-(azepan-1-yl)-5-nitrobenzonitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 78243-61-5 |
| Database ID | 5138353 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-(azepan-1-yl)-5-nitrobenzonitrile
2-(azepan-1-yl)-5-nitrobenzonitrile (CAS 78243-61-5) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number78243-61-5
Database ID5138353
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 5138353
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N
- 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 78243-61-52-(azepan-1-yl)-5-nitrobenzonitrile
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