2D Chemical StructureDatabase ID 21982085
No renderable structure data available
SMILES
COC(=O)C1=CC=CC(=C1Br)C#NStructure data verified · Database ID 21982085
Chemical Intermediate
methyl 2-bromo-3-cyanobenzoate
CAS 1261796-94-4Product ID 121157
| Intermediates | methyl 2-bromo-3-cyanobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 1261796-94-4 |
| Database ID | 21982085 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 2-bromo-3-cyanobenzoate
methyl 2-bromo-3-cyanobenzoate (CAS 1261796-94-4) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1261796-94-4
Database ID21982085
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 21982085
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- COC(=O)C1=CC=CC(=C1Br)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 1261796-94-4methyl 2-bromo-3-cyanobenzoate
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