3-Bromo-4-methoxybenzonitrile (C8H6BrNO)

3-Bromo-4-methoxybenzonitrile (C8H6BrNO; CAS 117572-79-9) is a practical retrosynthesis target. 3-Bromo-4-methoxybenzonitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: 3-Bromo-4-methoxybenzonitrile
CAS: 117572-79-9
Formula: C8H6BrNO
Approx. MW: 212.05
SMILES: COc1ccc(C#N)cc1Br
PubChem CID: 736049
Approx. carbons: C8

3-Bromo-4-methoxybenzonitrile structure

Properties

Molecular weight: 212.05

View on PubChem

3-Bromo-4-methoxybenzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Bromo-4-methoxybenzonitrile?

3-Bromo-4-methoxybenzonitrile has molecular formula C8H6BrNO. Molecular weight about 212.05 g·mol⁻¹.

What is the CAS number of 3-Bromo-4-methoxybenzonitrile?

The CAS Registry Number for 3-Bromo-4-methoxybenzonitrile is 117572-79-9.

Run AI retrosynthesis for 3-Bromo-4-methoxybenzonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H6BrNO.

Related targets

Similar compounds

(Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 2-(2-Chlorophenyl)ethylamine 2-(Trifluoromethoxy)benzonitrile 2-(Trifluoromethyl)benzylamine 2-Chloro-5-(trifluoromethyl)benzonitrile

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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.