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

C7H8FNO3SCAS 147541-01-3205.20 g/mol

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Sulfonic acid

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 N-Fluoro-4-methylpyridinium-2-sulfonate147540-88-354 % 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

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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