Sodium p-fluorobenzenesulfinate

C6H4FNaO2SCAS 824-80-6182.14 g/mol

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O−SOFNa+
Aryl halide

Properties

Molecular formula
C6H4FNaO2S
Molar mass
182.14 g/mol
Exact mass
181.9814 Da
logP
1.03Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
824-80-6
SMILES
[O-]S(=O)c1ccc(F)cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

6 names
  • Benzenesulfinic acid, 4-fluoro-, sodium salt (1:1)
  • Benzenesulfinic acid, 4-fluoro-, sodium salt
  • Benzenesulfinic acid, p-fluoro-, sodium salt
  • NSC 131873
  • Sodium 4-fluorobenzenesulfinate
  • 4-Fluorobenzenesulfinic acid sodium salt

Work with Sodium p-fluorobenzenesulfinate

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

Sodium benzenesulfinate873-55-261 % similar Sodium p-chlorobenzenesulfinate14752-66-060 % similar Sodium p-toluenesulfinate824-79-360 % similar Benzenesulfinic acid sodium salt dihydrate25932-11-055 % similar P-Toluenesulfinic acid sodium salt tetrahydrate868858-48-455 % similar Sodium 4-acetamidobenzene-1-sulfinate15898-43-847 % similar Zinc 4-methylbenzenesulfinate24345-02-645 % similar Zinc benzenesulfinate24308-84-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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