2D Chemical StructureDatabase ID 12625045
No renderable structure data available
SMILES
CC(C#N)(C1=CC=CC=C1)N=C=OStructure data verified · Database ID 12625045
Chemical Intermediate
2-isocyanato-2-phenylpropanenitrile
CAS 52161-42-9Product ID 443233
| Intermediates | 2-isocyanato-2-phenylpropanenitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 52161-42-9 |
| Database ID | 12625045 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-isocyanato-2-phenylpropanenitrile
2-isocyanato-2-phenylpropanenitrile (CAS 52161-42-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number52161-42-9
Database ID12625045
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 12625045
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C#N)(C1=CC=CC=C1)N=C=O
- 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 52161-42-92-isocyanato-2-phenylpropanenitrile
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