2-Methyl-5-(propan-2-yl)phenyl trifluoromethanesulfonate

HCID 13096409CAS 63028-16-0

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

Related reactions

4 records

Linked notes

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