5-Bromo-2-nitrobenzonitrile
5-bromo-2-nitrobenzonitrile
Also Known As: 5-bromo-2-nitrobenzonitrile|2-nitro-5-bromobenzonitrile|5-Bromo-2-nitro-benzonitrile|4-Bromo-2-cyanonitrobenzene|ACMC-209r2a|KS-00000IG1|WT1788|CS-W005536|PS-4812|4CH-003505|89642-50-2 2-nitro-5-bromobenzonitrile|B-5292|640-159-9
CAS: 52116-83-3
| Molecular Formula | C7H3BrN2O2 |
|---|---|
| Molecular Weight | 225.93779 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.93779 |
| Monoisotopic Mass | 225.93779 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 52116-83-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C#N)[N+](=O)[O-] |
| InChIKey | LCNNOEPOXHHUQG-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 (1 patents)
Product Overview
5-Bromo-2-nitrobenzonitrile (CAS 52116-83-3), with molecular formula C7H3BrN2O2 and molecular weight 225.93779 g/mol. IUPAC: 5-bromo-2-nitrobenzonitrile.
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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