Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester
Basic information
- CAS
675855-59-1- Standard SMILES
CC(C)Cc1ccccc1OS(=O)(=O)C(F)(F)F- InChIKey
RVUQGBXAESRIRD-UHFFFAOYSA-N- Molecular formula
- C11H13F3O3S
- Average molar mass
- 282.28 g/mol
- Monoisotopic mass
- 282.05374993
Names & identifiers
- Preferred name
- Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester
- IUPAC
- [2-(2-methylpropyl)phenyl] trifluoromethanesulfonate
Names & synonyms
675855-59-1Methanesulfonic acid, trifluoro-, 2-(2-methylpropyl)phenyl ester2-(2-methylpropyl)phenyl trifluoromethanesulfonateSCHEMBL5559026SCHEMBL29414133DTXSID50474797RVUQGBXAESRIRD-UHFFFAOYSA-N
Database identifiers
- CAS
675855-59-1- PubChem CID
- 11961364
- DTXSID
DTXSID50474797- Nikkaji
- J2.001.371K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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