Basic information
- Standard SMILES
CC(C)(C)c1ccc(C=O)c(OS(=O)(=O)C(F)(F)F)c1- InChIKey
IBRARMBNPDUARK-UHFFFAOYSA-N- Molecular formula
- C12H13F3O4S
- Average molar mass
- 310.29 g/mol
- Monoisotopic mass
- 310.04866455
Names & identifiers
- Preferred name
- Trifluoro-methanesulfonic acid 5-tert-butyl-2-formyl-phenyl ester
- IUPAC
- (5-tert-butyl-2-formylphenyl) trifluoromethanesulfonate
Names & synonyms
Trifluoro-methanesulfonic acid 5-tert-butyl-2-formyl-phenyl esterSCHEMBL4513577
Database identifiers
- PubChem CID
- 57424249
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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