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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

IUPAC name
5-chloro-2-methoxybenzonitrile
Common names
5-chloro-2-methoxybenzonitrile; 55877-79-7; LREABOKKLIVXNA-UHFFFAOYSA-; DTXSID30384204; RefChem:102314; DTXCID00335228; 611-331-0; InChI=1/C8H6ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3; LREABOKKLIVXNA-UHFFFAOYSA-N; 5-Chloro-2-methoxy-benzonitrile
Molecular weight
167.59
Exact mass
167.01
InChIKey
LREABOKKLIVXNA-UHFFFAOYSA-N

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-Chlorophenoxyacetonitrile6-Chlorooxindole(Pentafluorophenyl)acetonitrile1-(4-Fluorophenyl)ethylamine2-(2-Chlorophenyl)ethylamine2-(Trifluoromethoxy)benzonitrile

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References & tools