Sodium bromoacetate

C2H2BrNaO2CAS 1068-52-6160.93 g/mol

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

Properties

Molecular formula
C2H2BrNaO2
Molar mass
160.93 g/mol
Exact mass
159.9136 Da
logP
0.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1068-52-6
SMILES
[O-]C(=O)CBr.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

4 names
  • Acetic acid, bromo-, sodium salt
  • Sodium monobromoacetate
  • Bromoacetic acid sodium salt
  • Sodium 2-bromoacetate

Work with Sodium bromoacetate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bromoacetic acid79-08-3Free acid

Similar compounds

Disodium malonate141-95-757 % similar Disodium succinate150-90-357 % similar Sodium propionate137-40-650 % similar Disodium sebacate17265-14-450 % similar Disodium propanedioate hydrate26522-85-050 % 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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