Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate
methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitrobenzoate
Also Known As: RH-1460 DIPH THIOETHER|RH 1460|RH-1460|methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate|methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitrobenzoate|methyl 5-((2-chloro-4-(trifluoromethyl)phenyl)thio)-2-nitrobenzoate|2-Nitro-5-[2-chloro-4-(trifluoromethyl)phenylthio]benzoic acid methyl ester|Methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitro-benzoate|2-Nitro-5-[[2-chloro-4-(trifluoromethyl)phenyl]thio]benzoic acid methyl ester
| Molecular Formula | C15H9ClF3NO4S |
|---|---|
| Molecular Weight | 390.9893 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.9893 |
| Heavy Atoms | 25 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 61405-48-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)SC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate (CAS 61405-48-9), with molecular formula C15H9ClF3NO4S and molecular weight 390.9893 g/mol. IUPAC: methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitrobenzoate.
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