2D Chemical StructureDatabase ID 131568111
No renderable structure data available
SMILES
COC(=O)C1=C(C(=C(C=C1)Br)[N+](=O)[O-])C#NStructure data verified · Database ID 131568111
Chemical Intermediate
methyl 4-bromo-2-cyano-3-nitrobenzoate
CAS 1805414-96-3Product ID 276559
| Intermediates | methyl 4-bromo-2-cyano-3-nitrobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 1805414-96-3 |
| Database ID | 131568111 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 4-bromo-2-cyano-3-nitrobenzoate
methyl 4-bromo-2-cyano-3-nitrobenzoate (CAS 1805414-96-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1805414-96-3
Database ID131568111
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 131568111
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- COC(=O)C1=C(C(=C(C=C1)Br)[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 1805414-96-3methyl 4-bromo-2-cyano-3-nitrobenzoate
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