4-(Chloroacetyl)catechol (C8H7ClO3)

Looking for routes to 4-(Chloroacetyl)catechol? 4-(Chloroacetyl)catechol presents a C8 framework, aromatic rings, halogen substitution. Use the planner with prefilled SMILES, or copy O=C(CCl)c1ccc(O)c(O)c1 (CAS 99-40-1).

Target: 4-(Chloroacetyl)catechol
CAS: 99-40-1
Formula: C8H7ClO3
Approx. MW: 186.59
SMILES: O=C(CCl)c1ccc(O)c(O)c1
PubChem CID: 66834
Approx. carbons: C8

4-(Chloroacetyl)catechol structure

Properties

Molecular weight: 186.59

View on PubChem

4-(Chloroacetyl)catechol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-(Chloroacetyl)catechol?

4-(Chloroacetyl)catechol has molecular formula C8H7ClO3. Molecular weight about 186.59 g·mol⁻¹.

What is the CAS number of 4-(Chloroacetyl)catechol?

The CAS Registry Number for 4-(Chloroacetyl)catechol is 99-40-1.

Run AI retrosynthesis for 4-(Chloroacetyl)catechol Target catalog AI tools overview

Open the planner with 4-(Chloroacetyl)catechol preloaded, then keep routes that match CAS 99-40-1.

Related targets

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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.