3-(Propan-2-yl)phenyl trifluoromethanesulfonate
Basic information
- CAS
80841-09-4- Standard SMILES
CC(C)c1cccc(OS(=O)(=O)C(F)(F)F)c1- InChIKey
MDZUBIFFXUJCKF-UHFFFAOYSA-N- Molecular formula
- C10H11F3O3S
- Average molar mass
- 268.25 g/mol
- Monoisotopic mass
- 268.03809987
Names & identifiers
- Preferred name
- 3-(Propan-2-yl)phenyl trifluoromethanesulfonate
- IUPAC
- (3-propan-2-ylphenyl) trifluoromethanesulfonate
Names & synonyms
80841-09-43-(Propan-2-yl)phenyl trifluoromethanesulfonateDTXSID30598349RefChem:275917DTXCID20549108SCHEMBL8007159MDZUBIFFXUJCKF-UHFFFAOYSA-Nm-isopropylphenol trifluoromethanesulfonate
Database identifiers
- CAS
80841-09-4- PubChem CID
- 19360552
- DTXSID
DTXSID30598349
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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