[2,2,2-Trifluoro-1-(4-methylphenyl)ethyl] 4-methylbenzenesulfonate
Basic information
- CAS
84877-44-1- Standard SMILES
Cc1ccc(C(OS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)cc1- InChIKey
NVPYPUPRRVDGPF-UHFFFAOYSA-N- Molecular formula
- C16H15F3O3S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.0694
Names & identifiers
- Preferred name
- [2,2,2-Trifluoro-1-(4-methylphenyl)ethyl] 4-methylbenzenesulfonate
- IUPAC
- [2,2,2-trifluoro-1-(4-methylphenyl)ethyl] 4-methylbenzenesulfonate
Names & synonyms
84877-44-1NSC142254NSC-1422541-p-tolyl-2,2,2-trifluoroethyl tosylateDS-0031051-Methyl-4-[2,2,2-trifluoro-1-(4-methylphenyl)ethoxy]sulfonyl-benzene
Database identifiers
- CAS
84877-44-1- PubChem CID
- 285388
- Nikkaji
- J302.790B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
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Compound notes
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