5-chloro-2-methoxybenzonitrile (C8H6ClNO)

5-chloro-2-methoxybenzonitrile presents a C8 framework, aromatic rings, basic nitrogen (formula C8H6ClNO, CAS 55877-79-7). ChemicalHelper Reaction can propose ranked disconnections for 5-chloro-2-methoxybenzonitrile from the SMILES COc1ccc(Cl)cc1C#N.

Target: 5-chloro-2-methoxybenzonitrile
CAS: 55877-79-7
Formula: C8H6ClNO
Approx. MW: 167.59
SMILES: COc1ccc(Cl)cc1C#N
PubChem CID: 2800979
Approx. carbons: C8

5-chloro-2-methoxybenzonitrile structure

Properties

Molecular weight: 167.59

View on PubChem

5-chloro-2-methoxybenzonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 5-chloro-2-methoxybenzonitrile?

5-chloro-2-methoxybenzonitrile has molecular formula C8H6ClNO. Molecular weight about 167.59 g·mol⁻¹.

What is the CAS number of 5-chloro-2-methoxybenzonitrile?

The CAS Registry Number for 5-chloro-2-methoxybenzonitrile is 55877-79-7.

Run AI retrosynthesis for 5-chloro-2-methoxybenzonitrile Target catalog AI tools overview

Open the planner with 5-chloro-2-methoxybenzonitrile preloaded, then keep routes that match CAS 55877-79-7.

Related targets

Similar compounds

3-Chlorophenoxyacetonitrile 6-Chlorooxindole (Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 2-(2-Chlorophenyl)ethylamine 2-(Trifluoromethoxy)benzonitrile

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.