N-Fluoro-4,6-dimethylpyridinium-2-sulfonate

C₇H₈FNO₃SCAS 147541-01-3205.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈FNO₃S
Molar mass: 205.20 g/mol
Exact mass: 205.0209 Da
logP: 0.23Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

147541-01-3

SMILES

CC1=CC(=[N+](C(=C1)S(=O)(=O)[O-])F)C

InChIKey

PCUDTDNTOMIWJB-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FNO3S/c1-5-3-6(2)9(8)7(4-5)13(10,11)12/h3-4H,1-2H3

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Names and synonyms

1 names

1-Fluoro-4,6-dimethylpyridin-1-ium-2-sulfonate

Work with N-Fluoro-4,6-dimethylpyridinium-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

1-Fluoro-2,4,6-trimethylpyridinium triflate107264-00-655 % similar 1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate109705-14-847 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-045 % similar Sodium 2,4-dimethylaniline-6-sulfonate64501-85-539 % similar Sodium 2,4-dimethylbenzenesulfonate827-21-438 % similar Sodium 4-methylbenzenesulfonate12068-03-036 % similar Sodium P-toluenesulfonate657-84-136 % similar Zinc P-toluenesulfonate hydrate123334-05-436 % similar

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

Same formula

3-Amino-4-methoxybenzenesulfonyl fluoride498-74-8

Elsewhere

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