chempirical

Sodium p-chlorobenzenesulfinate

C6H4ClNaO2SCAS 14752-66-0198.60 g/mol

Open in Covalent MOL file
O−SOClNa+
Aryl halide

Properties

Molecular formula
C6H4ClNaO2S
Molar mass
198.60 g/mol
Exact mass
197.9518 Da
logP
1.54Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
14752-66-0
SMILES
[O-]S(=O)c1ccc(Cl)cc1.[Na+]
InChIKey
GJAKRMFICWCSQW-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);

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

Names and synonyms

8 names
  • Benzenesulfinic acid, 4-chloro-, sodium salt (1:1)
  • Benzenesulfinic acid, p-chloro-, sodium salt
  • Benzenesulfinic acid, 4-chloro-, sodium salt
  • Sodium 4-chlorobenzenesulfinate
  • Sodium 4-chlorophenylsulfinate
  • Sodium p-chlorophenylsulfinate
  • 4-Chlorobenzenesulfinic acid sodium salt
  • NSC 67146

Work with Sodium p-chlorobenzenesulfinate

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-toluenesulfinate824-79-360 % similar Sodium p-fluorobenzenesulfinate824-80-660 % similar 1,1′-Sulfinylbis[4-chlorobenzene]3085-42-550 % similar Zinc 4-methylbenzenesulfinate24345-02-645 % similar Zinc benzenesulfinate24308-84-745 % similar 1,4-Dichlorobenzene106-46-738 % similar Sodium P-chlorophenoxyacetate13730-98-835 % similar

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

Elsewhere

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