chempirical

Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

C6H3Cl2NaO4SCAS 54970-72-8265.04 g/mol

Open in Covalent MOL file
O−SOOClClHONa+
Aryl halidePhenolSulfonic acid

Properties

Molecular formula
C6H3Cl2NaO4S
Molar mass
265.04 g/mol
Exact mass
263.9027 Da
logP
1.56Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
54970-72-8
SMILES
[O-]S(=O)(=O)c1cc(Cl)cc(Cl)c1O.[Na+]
InChIKey
VCILYNOSKHDKEM-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);

Weigh it out

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

Names and synonyms

4 names
  • Benzenesulfonic acid, 3,5-dichloro-2-hydroxy-, sodium salt (1:1)
  • Benzenesulfonic acid, 3,5-dichloro-2-hydroxy-, monosodium salt
  • 1-Phenol-2-sulfonic acid, 4,6-dichloro-, sodium salt
  • Sodium 2-hydroxy-3,5-dichlorobenzenesulfonate

Work with Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

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

Tiron (chemical)149-45-150 % similar 2,4,6-Trichlorophenol88-06-250 % similar Acid blue 452861-02-144 % similar Potassium 2,4,5-trichlorobenzenesulfonate62625-17-644 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-144 % similar Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-443 % similar 2,4-Dichloro-6-nitrophenol609-89-243 % similar 3,5-Dichlorosalicylaldehyde90-60-843 % similar

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

Elsewhere

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