chempirical

Sodium dichloroacetate

C2HCl2NaO2CAS 2156-56-1150.92 g/mol

Open in Covalent MOL file
O−OClClNa+
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2HCl2NaO2
Molar mass
150.92 g/mol
Exact mass
149.9251 Da
logP
0.49Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2156-56-1
SMILES
[O-]C(=O)C(Cl)Cl.[Na+]
InChIKey
ZOXHFYPCZQICQD-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2,2-dichloro-, sodium salt (1:1)
  • Acetic acid, dichloro-, sodium salt
  • Dichloroacetic acid sodium salt
  • CPC 211
  • Ceresine
  • DCA

Work with Sodium dichloroacetate

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 tartrate868-18-850 % similar Disodium bis(R,R-tartrato)diantimonate(2-)34521-09-046 % similar Potassium sodium tartrate304-59-644 % similar Sodium lactate312-85-644 % similar Sodium tartrate dihydrate6106-24-744 % similar Sodium lactate72-17-344 % similar Sodium L-lactate867-56-144 % similar Sodium valproate1069-66-541 % similar

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

Elsewhere

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