Compound C13H8F3NO2S
2-nitro-1-phenylsulfanyl-4-(trifluoromethyl)benzene
CAS: 346-44-1
| Molecular Formula | C13H8F3NO2S |
|---|---|
| Molecular Weight | 299.27 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.1 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0228 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 346-44-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | UBCNQWMQLBEUOC-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H8F3NO2S (CAS: 346-44-1) is a chemical compound with molecular formula C13H8F3NO2S and molecular weight 299.27 g/mol. Its IUPAC systematic name is 2-nitro-1-phenylsulfanyl-4-(trifluoromethyl)benzene.
UBCNQWMQLBEUOC-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-].
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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