chempirical

2-(Trimethylsilyl)phenyl trifluoromethanesulfonate

C10H13F3O3SSiCAS 88284-48-4298.35 g/mol

Open in Covalent MOL file
SiOSOOFFF
Alkyl halideSulfonate ester

Properties

Molecular formula
C10H13F3O3SSi
Molar mass
298.35 g/mol
Exact mass
298.0307 Da
logP
2.46Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
88284-48-4
SMILES
C[Si](C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
InChIKey
XBHPFCIWRHJDCP-UHFFFAOYSA-N
InChI
InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-749 % similar (S)-BINOL bis(triflate)128544-05-849 % similar 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl128575-34-849 % similar 2-Methylbenzofuro[2,3-B]pyridin-8-yl trifluoromethanesulfonate1609373-98-941 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-839 % similar 4-Acetylphenyl trifluoromethanesulfonate109613-00-539 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-937 % similar (1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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