chempirical

Sodium chloroacetate

C2H2ClNaO2CAS 3926-62-3116.48 g/mol

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

Properties

Molecular formula
C2H2ClNaO2
Molar mass
116.48 g/mol
Exact mass
115.9641 Da
Melting point
150–200 °C (decomposes)
logP
-0.07Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
3926-62-3
SMILES
[O-]C(=O)CCl.[Na+]
InChIKey
ATACSYDDCNWCLV-UHFFFAOYSA-N
InChI
InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);

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

Names and synonyms

11 names
  • Acetic acid, 2-chloro-, sodium salt (1:1)
  • Acetic acid, chloro-, sodium salt
  • Chloroacetic acid sodium salt
  • Sodium monochloroacetate
  • SMA
  • SMA (herbicide)
  • Monochloroacetic acid sodium salt
  • Sodium 2-chloroacetate
  • Sodium α-chloroacetate
  • Sodium chloroethanoate
  • Sodium monochloroactetate

Work with Sodium chloroacetate

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

Disodium malonate141-95-757 % similar Disodium succinate150-90-357 % similar Sodium bromoacetate1068-52-650 % similar Sodium propionate137-40-650 % similar Disodium sebacate17265-14-450 % similar Sodium glycolate2836-32-050 % similar Sodium iodoacetate305-53-350 % similar Sodium thioglycolate367-51-150 % similar

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

Elsewhere

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