Isovaleryl chloride (C5H9ClO)

Looking for routes to Isovaleryl chloride? Isovaleryl chloride presents a C5 framework, halogen substitution. Use the planner with prefilled SMILES, or copy CC(C)CC(=O)Cl (CAS 108-12-3).

Target: Isovaleryl chloride
CAS: 108-12-3
Formula: C5H9ClO
Approx. MW: 120.58
SMILES: CC(C)CC(=O)Cl
PubChem CID: 66054
Approx. carbons: C5

Isovaleryl chloride structure

Properties

Molecular weight: 120.58

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Isovaleryl chloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isovaleryl chloride?

Isovaleryl chloride has molecular formula C5H9ClO. Molecular weight about 120.58 g·mol⁻¹.

What is the CAS number of Isovaleryl chloride?

The CAS Registry Number for Isovaleryl chloride is 108-12-3.

Run AI retrosynthesis for Isovaleryl chloride Target catalog AI tools overview

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Related targets

Similar compounds

(RS)-2-Methylbutyryl chloride 5-Chloro-2-pentanone Tetrahydrofurfuryl chloride Valeryl chloride 1-Bromo-3-Methylbutane 1-Bromo-5-chloropentane

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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.