chempirical

Sodium p-fluorobenzenesulfinate

C6H4FNaO2SCAS 824-80-6182.14 g/mol

Open in Covalent MOL file
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

Identifiers

CAS number
824-80-6
SMILES
[O-]S(=O)c1ccc(F)cc1.[Na+]
InChIKey
SLINBBSGWNDTQP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);

Weigh it out

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

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 Zinc 4-methylbenzenesulfinate24345-02-645 % similar Zinc benzenesulfinate24308-84-745 % similar Sodium p-fluorobenzoate499-90-141 % similar 1,4-Difluorobenzene540-36-338 % similar 4-Fluoroaniline371-40-434 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook