Stk331085
1-nitro-3-(2-phenylethynyl)benzene
Also Known As: 1-nitro-3-(phenylethynyl)benzene|1-nitro-3-(2-phenylethynyl)benzene|3-nitro-diphenylacetylene|3-phenylethynylnitrobenzene|phenyl-3-nitrophenylacetylene|3-Nitro(ethynylenebisbenzene)|Benzene, 1-nitro-3-(2-phenylethynyl)-|[(3-Nitrophenyl)ethynyl]benzene|1-Nitro-3-phenylethynyl-benzene|1-(Phenylethynyl)-3-nitrobenzene|3-(Phenylethynyl)-1-nitrobenzene|1-(3-Nitrophenyl)-2-phenylethyne|1-Phenyl-2-(3-nitrophenyl)ethyne|1-(3-Nitrophenyl)-2-phenylacetylene|1-Phenyl-2-(3-nitrophenyl)acetylene|1-nitro-3-(2-phenylethynyl)-benzene|Benzene, 1-nitro-3-(phenylethynyl)-|NCGC00343141-01|BAS 00603279|AB01332954-02
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06332 g/mol |
| LogP | 2.9946 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.06332 |
| Monoisotopic Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 594.36444 |
Chemical Identifiers
| CAS Number | 29338-47-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Stk331085 (CAS 29338-47-4), with molecular formula C14H9NO2 and molecular weight 223.06332 g/mol. IUPAC: 1-nitro-3-(2-phenylethynyl)benzene.