2-Bromoisovaleric acid (C5H9BrO2)

Looking for routes to 2-Bromoisovaleric acid? 2-Bromoisovaleric acid presents a C5 framework, a carboxylic acid, halogen substitution. Use the planner with prefilled SMILES, or copy CC(C)C(Br)C(=O)O (CAS 565-74-2).

Target: 2-Bromoisovaleric acid
CAS: 565-74-2
Formula: C5H9BrO2
Approx. MW: 181.03
SMILES: CC(C)C(Br)C(=O)O
PubChem CID: 11268
Approx. carbons: C5

2-Bromoisovaleric acid structure

Properties

Molecular weight: 181.03

View on PubChem

2-Bromoisovaleric acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Bromoisovaleric acid?

2-Bromoisovaleric acid has molecular formula C5H9BrO2. Molecular weight about 181.03 g·mol⁻¹.

What is the CAS number of 2-Bromoisovaleric acid?

The CAS Registry Number for 2-Bromoisovaleric acid is 565-74-2.

Run AI retrosynthesis for 2-Bromoisovaleric acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H9BrO2.

Related targets

Similar compounds

5-Bromovaleric acid 5-Chlorovaleric acid Propanoic acid, 3,3-dichloro-2,2-dimethyl-2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-Bromo-2-methylpropanoic acid

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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.