2D Chemical StructureDatabase ID 22451886
No renderable structure data available
SMILES
CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)[N+](=O)[O-]Structure data verified · Database ID 22451886
Chemical Intermediate
tert-butyl 4-methyl-3-nitrobenzoate
CAS 199589-61-2Product ID 314332
| Intermediates | tert-butyl 4-methyl-3-nitrobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 199589-61-2 |
| Database ID | 22451886 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
tert-butyl 4-methyl-3-nitrobenzoate
tert-butyl 4-methyl-3-nitrobenzoate (CAS 199589-61-2) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number199589-61-2
Database ID22451886
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 22451886
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)[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.
Request a Quote
Need this intermediate?
Send the required specification, quantity, destination and intended use. The CATO team will review availability and respond.
CAS 199589-61-2tert-butyl 4-methyl-3-nitrobenzoate
Complete inquiry