chempirical

N-Fluoro-4-methylpyridinium-2-sulfonate

C6H6FNO3SCAS 147540-88-3191.18 g/mol

Open in Covalent MOL file
N+FSOOO−
Sulfonic acid

Properties

Molecular formula
C6H6FNO3S
Molar mass
191.18 g/mol
Exact mass
191.0052 Da
logP
-0.08Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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
147540-88-3
SMILES
CC1=CC(=[N+](C=C1)F)S(=O)(=O)[O-]
InChIKey
CZLMNRIAOUVXNU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6FNO3S/c1-5-2-3-8(7)6(4-5)12(9,10)11/h2-4H,1H3

Weigh it out

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Work with N-Fluoro-4-methylpyridinium-2-sulfonate

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

N-Fluoro-4,6-dimethylpyridinium-2-sulfonate147541-01-354 % similar N-Fluoro-5-(trifluoromethyl)pyridinium-2-sulfonate147541-08-042 % similar Sodium 2,4-dimethylbenzenesulfonate827-21-441 % similar Sodium 4-methylbenzenesulfonate12068-03-039 % similar Sodium p-toluenesulfonate657-84-139 % similar Silver tosylate16836-95-638 % similar Ferric p-toluenesulfonate77214-82-538 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-038 % similar

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

Elsewhere

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