2D Chemical StructureDatabase ID 57880339
No renderable structure data available
SMILES
CCOC(=O)C1=CC(=C(C=C1)S)[N+](=O)[O-]Structure data verified · Database ID 57880339
Chemical Intermediate
ethyl 3-nitro-4-sulfanylbenzoate
CAS 691847-97-9Product ID 493184
| Intermediates | ethyl 3-nitro-4-sulfanylbenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 691847-97-9 |
| Database ID | 57880339 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
ethyl 3-nitro-4-sulfanylbenzoate
ethyl 3-nitro-4-sulfanylbenzoate (CAS 691847-97-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number691847-97-9
Database ID57880339
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 57880339
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CCOC(=O)C1=CC(=C(C=C1)S)[N+](=O)[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 691847-97-9ethyl 3-nitro-4-sulfanylbenzoate
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