3-Chlorohexane (C6H13Cl)

3-Chlorohexane presents a C6 framework, halogen substitution (formula C6H13Cl, CAS 2346-81-8). ChemicalHelper Reaction can propose ranked disconnections for 3-Chlorohexane from the SMILES CCCC(Cl)CC.

Target: 3-Chlorohexane
CAS: 2346-81-8
Formula: C6H13Cl
Approx. MW: 120.62
SMILES: CCCC(Cl)CC
PubChem CID: 33016
Approx. carbons: C6

3-Chlorohexane structure

Properties

Molecular weight: 120.62

View on PubChem

3-Chlorohexane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Chlorohexane?

3-Chlorohexane has molecular formula C6H13Cl. Molecular weight about 120.62 g·mol⁻¹.

What is the CAS number of 3-Chlorohexane?

The CAS Registry Number for 3-Chlorohexane is 2346-81-8.

Run AI retrosynthesis for 3-Chlorohexane Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H13Cl.

Related targets

Similar compounds

1-Chlorohexane 2-Chlorohexane 3-(Chloromethyl)pentane 1-Bromo-2-ethylbutane 1-Bromo-6-chlorohexane 1-Bromohexane

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.