Benzonitrile (C7H5N)

Looking for routes to Benzonitrile? Benzonitrile presents a C7 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy N#Cc1ccccc1 (CAS 100-47-0).

Target: Benzonitrile
CAS: 100-47-0
Formula: C7H5N
Approx. MW: 103.12
SMILES: N#Cc1ccccc1
PubChem CID: 7505
Approx. carbons: C7

Benzonitrile structure

Properties

Molecular weight: 103.12

View on PubChem

Benzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Benzonitrile?

Benzonitrile has molecular formula C7H5N. Molecular weight about 103.12 g·mol⁻¹.

What is the CAS number of Benzonitrile?

The CAS Registry Number for Benzonitrile is 100-47-0.

Run AI retrosynthesis for Benzonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H5N.

Related targets

Similar compounds

[amino(phenyl)methyl]phosphonic acid 1-methylnicotinamide 2-(2-Aminoethyl)pyridine 2-Aminobenzhydrazide 2-Chloro-5-methylaniline 2-Chloro-6-methylaniline

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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.