Ethyl 4-iodobenzoate (C9H9IO2)

Ethyl 4-iodobenzoate presents a C9 framework, aromatic rings, halogen substitution (formula C9H9IO2, CAS 51934-41-9). ChemicalTool Reaction can propose ranked disconnections for Ethyl 4-iodobenzoate from the SMILES CCOC(=O)c1ccc(I)cc1.

Target: Ethyl 4-iodobenzoate
CAS: 51934-41-9
Formula: C9H9IO2
Approx. MW: 276.07
SMILES: CCOC(=O)c1ccc(I)cc1
PubChem CID: 142891
Approx. carbons: C9

Ethyl 4-iodobenzoate structure

Properties

Molecular weight: 276.07

View on PubChem

Ethyl 4-iodobenzoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl 4-iodobenzoate?

Ethyl 4-iodobenzoate has molecular formula C9H9IO2. Molecular weight about 276.07 g·mol⁻¹.

What is the CAS number of Ethyl 4-iodobenzoate?

The CAS Registry Number for Ethyl 4-iodobenzoate is 51934-41-9.

Run AI retrosynthesis for Ethyl 4-iodobenzoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H9IO2.

Related targets

Similar compounds

(2-Bromopropyl)benzene (3-Bromopropoxy)benzene (Chloromethyl)dimethylphenylsilane 1-(3-(trifluoromethoxy)phenyl)ethanone 1-(3-Chloropropoxy)-4-fluorobenzene 1-(allyloxy)-2-bromobenzene

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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.