methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate
methyl 3-(dimethylcarbamoyl)-5-nitrobenzoate
Also Known As: Oprea1_355914|methyl 3-(dimethylcarbamoyl)-5-nitrobenzoate|methyl 5-nitro-3-(n,n-dimethyl)carbamoylbenzoate|methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate
CAS: 91088-47-0
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07462 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07462 |
| Monoisotopic Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 91088-47-0 |
|---|---|
| SMILES | CN(C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | FNYAWWIWBIZMRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
methyl 3-(N,N-dimethylcarbamoyl)-5-nitrobenzoate (CAS 91088-47-0), with molecular formula C11H12N2O5 and molecular weight 252.07462 g/mol. IUPAC: methyl 3-(dimethylcarbamoyl)-5-nitrobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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