2D Chemical StructureDatabase ID 131168845
No renderable structure data available
SMILES
CC1=CC(=C(C(=C1)Br)C#N)C(=O)OCStructure data verified · Database ID 131168845
Chemical Intermediate
methyl 3-bromo-2-cyano-5-methylbenzoate
CAS 1805596-17-1Product ID 277148
| Intermediates | methyl 3-bromo-2-cyano-5-methylbenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 1805596-17-1 |
| Database ID | 131168845 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-bromo-2-cyano-5-methylbenzoate
methyl 3-bromo-2-cyano-5-methylbenzoate (CAS 1805596-17-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1805596-17-1
Database ID131168845
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 131168845
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=CC(=C(C(=C1)Br)C#N)C(=O)OC
- 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 1805596-17-1methyl 3-bromo-2-cyano-5-methylbenzoate
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