2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid
2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-((2-(4-nitrophenyl)-2-oxoethyl)thio)benzoic acid|o-[(p-nitrobenzoyl)methylthio]benzoic acid|2-[2-(4-Nitro-phenyl)-2-oxo-ethylsulfanyl]-benzoic acid|2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid|F0820-0273|2-[2-(4-nitrophenyl)-2-oxoethylthio]benzoic acid|2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanylbenzoic Acid
CAS: 55405-41-9
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.0358 g/mol |
| LogP | 3.268 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0358 |
| Monoisotopic Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 726.9676 |
Chemical Identifiers
| CAS Number | 55405-41-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid (CAS 55405-41-9), with molecular formula C15H11NO5S and molecular weight 317.0358 g/mol. IUPAC: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid.
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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2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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