Dichloroacetic acid (C2H2Cl2O2)

Dichloroacetic Acid presents a C2 framework, a carboxylic acid, halogen substitution (formula C2H2Cl2O2, CAS 79-43-6). ChemicalTool Reaction can propose ranked disconnections for Dichloroacetic Acid from the SMILES O=C(O)C(Cl)Cl.

Target: Dichloroacetic acid
CAS: 79-43-6
Formula: C2H2Cl2O2
Approx. MW: 128.94
SMILES: O=C(O)C(Cl)Cl
PubChem CID: 6597
Approx. carbons: C2

Dichloroacetic acid structure

Properties

IUPAC name: 2,2-dichloroacetic acid
Molecular weight: 128.94
Exact mass: 127.94
InChIKey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
Boiling point: 381 °F at 760 mmHg (NTP, 1992)

View on PubChem

Dichloroacetic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Dichloroacetic acid?

Dichloroacetic acid has molecular formula C2H2Cl2O2. Molecular weight about 128.94 g·mol⁻¹.

What is the CAS number of Dichloroacetic acid?

The CAS Registry Number for Dichloroacetic acid is 79-43-6.

Run AI retrosynthesis for Dichloroacetic acid Target catalog AI tools overview

Open the planner with Dichloroacetic acid preloaded, then keep routes that match CAS 79-43-6.

Related targets

Similar compounds

Bromoacetic Acid chloroacetic acid Difluoroacetic Acid 2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-Bromo-2-methylpropanoic acid

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.