1-Fluoro-4-methanesulfonyl-2-nitrobenzene
1-fluoro-4-methylsulfonyl-2-nitrobenzene
Also Known As: 1-fluoro-4-(methylsulfonyl)-2-nitrobenzene|4-Methylsulfonyl-2-nitrofluorobenzene|1-fluoro-4-methanesulfonyl-2-nitrobenzene|4-fluoro-3-nitrophenyl methyl sulfone|1-fluoro-4-methylsulfonyl-2-nitrobenzene|2-fluoro-5-methylsulphonylnitrobenzene|4-Fluoro-3-nitrophenyl methyl sulphone|2-Fluoro-5-methyl sulfonyl nitrobenzene|2-fluoro-5-methylsulfonylnitrobenzene|1-fluoro-4-methylsulfonyl-2-nitro-benzene|4-fluoro-3-nitrophenyl methylsulfone|AC-4579|Benzene,1-fluoro-4-(methylsulfonyl)-2-nitro-|(3-Nitro-4-fluorophenyl)methyl sulfone|2-fluoro-5-methylsulphonyl nitrobenzene|2-fluoro-5-methylsulphonyl-nitrobenzene|2-Fluoro-5-(methylsulphonyl)nitrobenzene|(4-Fluoro-3-nitrophenyl)(methyl) sulfone|1-fluoro-4(methylsulfonyl)-2-nitrobenzene|1-fluoro-4-methanesulfonyl-2-nitro-benzene|1-Fluoro-4-(methanesulfonyl)-2-nitrobenzene
| Molecular Formula | C7H6FNO4S |
|---|---|
| Molecular Weight | 219.00015 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.00015 |
| Monoisotopic Mass | 219.00015 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 453-72-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| InChIKey | OUSNDSFSTBZESM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-4-methanesulfonyl-2-nitrobenzene (CAS 453-72-5), with molecular formula C7H6FNO4S and molecular weight 219.00015 g/mol. IUPAC: 1-fluoro-4-methylsulfonyl-2-nitrobenzene.