Ethyl 3-bromopropanoate (C5H9BrO2)

Ethyl 3-bromopropanoate presents a C5 framework, halogen substitution (formula C5H9BrO2, CAS 539-74-2). ChemicalTool Reaction can propose ranked disconnections for Ethyl 3-bromopropanoate from the SMILES CCOC(=O)CCBr.

Target: Ethyl 3-bromopropanoate
CAS: 539-74-2
Formula: C5H9BrO2
Approx. MW: 181.03
SMILES: CCOC(=O)CCBr
PubChem CID: 68320
Approx. carbons: C5

Ethyl 3-bromopropanoate structure

Properties

Molecular weight: 181.03

View on PubChem

Ethyl 3-bromopropanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl 3-bromopropanoate?

Ethyl 3-bromopropanoate has molecular formula C5H9BrO2. Molecular weight about 181.03 g·mol⁻¹.

What is the CAS number of Ethyl 3-bromopropanoate?

The CAS Registry Number for Ethyl 3-bromopropanoate is 539-74-2.

Run AI retrosynthesis for Ethyl 3-bromopropanoate Target catalog AI tools overview

Open the planner with Ethyl 3-bromopropanoate preloaded, then keep routes that match CAS 539-74-2.

Related targets

Similar compounds

Ethyl 2-bromopropionate Methyl 4-bromobutyrate (RS)-2-Methylbutyryl chloride 1-Bromo-3-Methylbutane 1-Bromo-5-chloropentane 1-Bromopentane

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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.