3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid
3-(3-chloro-2-nitrophenyl)-2-oxopropanoic acid
Also Known As: 3-(3-chloro-2-nitrophenyl)-2-oxopropanoic acid|3-chloro-2-tolyl-hydrazine hydrochloride|1H-IMIDAZOLE-4,5-DIMETHANAMINE|3-(3-chloro-2-nitro-phenyl)-2-oxo-propanoic acid
CAS: 78014-96-7
| Molecular Formula | C9H6ClNO5 |
|---|---|
| Molecular Weight | 242.99345 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.99345 |
| Monoisotopic Mass | 242.99345 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 78014-96-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CC(=O)C(=O)O |
| InChIKey | GOCKZCAEISJBQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (4 patents)
Product Overview
3-(3-Chloro-2-nitrophenyl)-2-oxopropanoic acid (CAS 78014-96-7), with molecular formula C9H6ClNO5 and molecular weight 242.99345 g/mol. IUPAC: 3-(3-chloro-2-nitrophenyl)-2-oxopropanoic 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 →
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