4-Chloronitrobenzene (C6H4ClNO2)

Looking for routes to 4-Chloronitrobenzene? 4-Chloronitrobenzene presents a C6 framework, aromatic rings, a nitro group. Use the planner with prefilled SMILES, or copy O=[N+]([O-])c1ccc(Cl)cc1 (CAS 100-00-5).

Target: 4-Chloronitrobenzene
CAS: 100-00-5
Formula: C6H4ClNO2
Approx. MW: 157.55
SMILES: O=[N+]([O-])c1ccc(Cl)cc1
PubChem CID: 7474
Approx. carbons: C6

4-Chloronitrobenzene structure

Properties

Molecular weight: 157.55

View on PubChem

4-Chloronitrobenzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Chloronitrobenzene?

4-Chloronitrobenzene has molecular formula C6H4ClNO2. Molecular weight about 157.55 g·mol⁻¹.

What is the CAS number of 4-Chloronitrobenzene?

The CAS Registry Number for 4-Chloronitrobenzene is 100-00-5.

Run AI retrosynthesis for 4-Chloronitrobenzene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H4ClNO2.

Related targets

Similar compounds

1-Chloro-3-nitrobenzene 2-Chloronitrobenzene 1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Iodo-3-nitrobenzene

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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.