3-Methyl-5-nitro-1-benzofuran-2-carboxylic acid
3-methyl-5-nitro-1-benzofuran-2-carboxylic acid
Also Known As: 3-methyl-5-nitrobenzofuran-2-carboxylic acid|3-methyl-5-nitro-1-benzofuran-2-carboxylic acid|3-Methyl-5-nitro-benzofuran-2-carboxylic acid|NCI60_007600|3-methyl-5-nitrobenzofuran-2carboxylic acid|2-Benzofurancarboxylic acid, 3-methyl-5-nitro-
CAS: 87977-34-2
| Molecular Formula | C10H7NO5 |
|---|---|
| Molecular Weight | 221.03242 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.03242 |
| Monoisotopic Mass | 221.03242 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 87977-34-2 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | BFOGZBLYCKTATH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (11 patents)
Pharmaceutical Intermediates (6 patents)
Product Overview
3-Methyl-5-nitro-1-benzofuran-2-carboxylic acid (CAS 87977-34-2), with molecular formula C10H7NO5 and molecular weight 221.03242 g/mol. IUPAC: 3-methyl-5-nitro-1-benzofuran-2-carboxylic acid.
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 →
3-Methyl-5-nitro-1-benzofuran-2-carboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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