Basic information
- Standard SMILES
Cc1ccc(C(C)C)cc1OS(=O)(=O)C(F)(F)F- InChIKey
SYVLUOVNTLERIV-UHFFFAOYSA-N- Molecular formula
- C11H13F3O3S
- Average molar mass
- 282.28 g/mol
- Monoisotopic mass
- 282.05374994
Names & identifiers
- Preferred name
- 2-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonate
- IUPAC
- (2-methyl-5-propan-2-ylphenyl) trifluoromethanesulfonate
Names & synonyms
63028-16-0DTXSID905180482-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonateRefChem:263514DTXCID104688545-isopropyl-2-methylphenyl trifluoromethanesulfonateMethanesulfonic acid, trifluoro-, 2-methyl-5-(1-methylethyl)phenyl esterSCHEMBL14660301AS-95831DB-087619H57045F567545
Database identifiers
- CAS
63028-16-0- PubChem CID
- 13096409
- DTXSID
DTXSID90518048
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
4 records
Linked notes
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