4-(1,1-Dimethyl-2-nitroethyl)benzonitrile
4-(2-methyl-1-nitropropan-2-yl)benzonitrile
Also Known As: 4-(1,1-dimethyl-2-nitroethyl)benzonitrile|2-(p-cyanophenyl)-2-methyl-1-nitropropane|4-(2-methyl-1-nitropropan-2-yl)benzonitrile|4-(2-methyl-1-nitro-propan-2-yl)benzonitrile|659-741-9
CAS: 76173-52-9
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.08987 g/mol |
| LogP | 2.11258 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Monoisotopic Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 401.59125 |
Chemical Identifiers
| CAS Number | 76173-52-9 |
|---|---|
| SMILES | CC(C)(C[N+](=O)[O-])C1=CC=C(C=C1)C#N |
Product Overview
4-(1,1-Dimethyl-2-nitroethyl)benzonitrile (CAS 76173-52-9), with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol. IUPAC: 4-(2-methyl-1-nitropropan-2-yl)benzonitrile.
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.
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