5-Chlorobenzotriazole (C6H4ClN3)

5-Chlorobenzotriazole presents a C6 framework, aromatic rings, halogen substitution (formula C6H4ClN3, CAS 94-97-3). ChemicalHelper Reaction can propose ranked disconnections for 5-Chlorobenzotriazole from the SMILES Clc1ccc2n[nH]nc2c1.

Target: 5-Chlorobenzotriazole
CAS: 94-97-3
Formula: C6H4ClN3
Approx. MW: 153.57
SMILES: Clc1ccc2n[nH]nc2c1
PubChem CID: 66760
Approx. carbons: C6

5-Chlorobenzotriazole structure

Properties

Molecular weight: 153.57

View on PubChem

5-Chlorobenzotriazole 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 5-Chlorobenzotriazole?

5-Chlorobenzotriazole has molecular formula C6H4ClN3. Molecular weight about 153.57 g·mol⁻¹.

What is the CAS number of 5-Chlorobenzotriazole?

The CAS Registry Number for 5-Chlorobenzotriazole is 94-97-3.

Run AI retrosynthesis for 5-Chlorobenzotriazole Target catalog AI tools overview

Open the planner with 5-Chlorobenzotriazole preloaded, then keep routes that match CAS 94-97-3.

Related targets

Similar compounds

(3-bromophenyl)boronic Acid 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene 1-Bromo-3-chlorobenzene 1-Bromo-4-chlorobenzene

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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.