Isoquinolinium, 5-nitro-2-(phenylmethyl)-
2-benzyl-5-nitroisoquinolin-2-ium
Also Known As: 2-benzyl-5-nitroisoquinolin-2-ium|2-Benzyl-5-nitroisoquinolinium|Isoquinolinium, 5-nitro-2-(phenylmethyl)-|Isoquinolinium,5-nitro-2-(phenylmethyl)|J1.047.554F
CAS: 52166-52-6
| Molecular Formula | C16H13N2O2+ |
|---|---|
| Molecular Weight | 265.09772 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.09772 |
| Monoisotopic Mass | 265.09772 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 52166-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-] |
| InChIKey | VAZPDZMZUJEZME-UHFFFAOYSA-N |
Product Overview
Isoquinolinium, 5-nitro-2-(phenylmethyl)- (CAS 52166-52-6), with molecular formula C16H13N2O2+ and molecular weight 265.09772 g/mol. IUPAC: 2-benzyl-5-nitroisoquinolin-2-ium.
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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