2D Chemical StructureDatabase ID 51346012
No renderable structure data available
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])SC#N)C(=O)OStructure data verified · Database ID 51346012
Chemical Intermediate
3-nitro-2-thiocyanatobenzoic acid
CAS 1253528-05-0Product ID 113643
| Intermediates | 3-nitro-2-thiocyanatobenzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 1253528-05-0 |
| Database ID | 51346012 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-nitro-2-thiocyanatobenzoic acid
3-nitro-2-thiocyanatobenzoic acid (CAS 1253528-05-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1253528-05-0
Database ID51346012
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 51346012
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=C(C(=C1)[N+](=O)[O-])SC#N)C(=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 1253528-05-03-nitro-2-thiocyanatobenzoic acid
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