Ai3-62580 (C6H3Cl3O2S)

Ai3-62580 presents a C6 framework, aromatic rings, halogen substitution (formula C6H3Cl3O2S, CAS 5402-73-3). ChemicalTool Reaction can propose ranked disconnections for Ai3-62580 from the SMILES O=S(=O)(Cl)c1cc(Cl)ccc1Cl.

Target: Ai3-62580
CAS: 5402-73-3
Formula: C6H3Cl3O2S
Approx. MW: 245.50
SMILES: O=S(=O)(Cl)c1cc(Cl)ccc1Cl
PubChem CID: 79401
Approx. carbons: C6

Ai3-62580 structure

Properties

Molecular weight: 245.50

View on PubChem

Ai3-62580 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ai3-62580?

Ai3-62580 has molecular formula C6H3Cl3O2S. Molecular weight about 245.50 g·mol⁻¹.

What is the CAS number of Ai3-62580?

The CAS Registry Number for Ai3-62580 is 5402-73-3.

Run AI retrosynthesis for Ai3-62580 Target catalog AI tools overview

Open the planner with Ai3-62580 preloaded, then keep routes that match CAS 5402-73-3.

Related targets

Similar compounds

(3-bromophenyl)boronic Acid 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene 1-Bromo-3-chlorobenzene 1-Bromo-4-chlorobenzene

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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.