4-Cyanobenzoic acid 3-nitrophenyl ester
(3-nitrophenyl) 4-cyanobenzoate
Also Known As: 3-nitrophenyl 4-cyanobenzoate|(3-nitrophenyl) 4-cyanobenzoate|4-Cyanobenzoic acid 3-nitrophenyl ester|Benzoic acid, 4-cyano-, 3-nitrophenyl ester
CAS: 53327-06-3
| Molecular Formula | C14H8N2O4 |
|---|---|
| Molecular Weight | 268.0484 g/mol |
| LogP | 2.68568 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0484 |
| Monoisotopic Mass | 268.0484 |
| Heavy Atoms | 20 |
| Complexity | 701.859 |
Chemical Identifiers
| CAS Number | 53327-06-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-Cyanobenzoic acid 3-nitrophenyl ester (CAS 53327-06-3), with molecular formula C14H8N2O4 and molecular weight 268.0484 g/mol. IUPAC: (3-nitrophenyl) 4-cyanobenzoate.
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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