Basic information
- Standard SMILES
CCCc1cc(Oc2ccc(Cl)cc2)ccc1OS(=O)(=O)C(F)(F)F- InChIKey
VSDMFTGUZGLMAY-UHFFFAOYSA-N- Molecular formula
- C16H14ClF3O4S
- Average molar mass
- 394.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chlorophenoxy)-2-propylphenyl trifluoromethanesulfonate
- IUPAC
- [4-(4-chlorophenoxy)-2-propylphenyl] trifluoromethanesulfonate
Names & synonyms
4-(4-chlorophenoxy)-2-propylphenyl trifluoromethanesulfonateSCHEMBL3564585
Database identifiers
- PubChem CID
- 57420139
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Related reactions
3 records
Compound notes
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