1-Cyano-4-(2-nitrophenyl)butyl acetate
[1-cyano-4-(2-nitrophenyl)butyl] acetate
Also Known As: 1-cyano-4-(2-nitrophenyl)butyl acetate|[1-cyano-4-(2-nitrophenyl)butyl] acetate|Benzenepentanenitrile, a-(acetyloxy)-2-nitro-
CAS: 58868-27-2
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.09537 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.09537 |
| Monoisotopic Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 58868-27-2 |
|---|---|
| SMILES | CC(=O)OC(CCCC1=CC=CC=C1[N+](=O)[O-])C#N |
| InChIKey | CCDZANKPQKNANH-UHFFFAOYSA-N |
Product Overview
1-Cyano-4-(2-nitrophenyl)butyl acetate (CAS 58868-27-2), with molecular formula C13H14N2O4 and molecular weight 262.09537 g/mol. IUPAC: [1-cyano-4-(2-nitrophenyl)butyl] acetate.
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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