Basic information
- CAS
14526-03-5- Standard SMILES
O=C([O-])CCl- InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-M- Molecular formula
- C2H2ClO2-
- Average molar mass
- 93.49 g/mol
- Monoisotopic mass
- 92.97488056
Overview
Chloroacetate is a haloacetate(1) resulting from the deprotonation of the carboxy group of chloroacetic acid. It is functionally related to an acetate. It is a conjugate base of a chloroacetic acid.
Names & identifiers
- Preferred name
- Chloroacetate
- IUPAC
- 2-chloroacetate
- English name
- Chloroacetate
- Molecular formula
- C2H2ClO2-
- Molecular weight
- 93.48908
Names & synonyms
chloroacetateChloroacetic acid ion(1-)14526-03-5Acetic acid, chloro-, ion(1-)CHEBI:23123DTXSID60162956RefChem:918463DTXCID10854472-chloroacetateAcetocaustinChloroacetic acid, liquidClCH2CO2 anion
Show more names
Sodium &alpha
CHLOROACETIC ACID CRYSTALLINEmono-chloroacetatechloroacetate anionchloroacetate(1-)monochloroacetate anionmonochloroacetic acid anionFOCAUTSVDIKZOP-UHFFFAOYSA-Mc0007
Database identifiers
- CAS
14526-03-5- PubChem CID
- 518964
- DTXSID
DTXSID60162956- ChEBI
CHEBI:23123- Nikkaji
- J455.954A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- -1
- Complexity
- 37.4
Chemistry & industry
Suppliers1 total
Additional notes
DefinitionChEBI: Chloroacetate is a haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid. It is functionally related to an acetate. It is a conjugate base of a chloroacetic acid.
Related reactions
45 records
Compound notes
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