2-(5-Fluoro-2-methoxyphenyl)acetonitrile structure

2-(5-Fluoro-2-methoxyphenyl)acetonitrile

2-(5-fluoro-2-methoxyphenyl)acetonitrile

Also Known As: 2-Methoxy-5-fluorobenzyl cyanide|2-(5-fluoro-2-methoxyphenyl)acetonitrile|(5-fluoro-2-methoxyphenyl)acetonitrile|5-FLUORO-2-METHOXYPHENYLACETONITRILE|2-Methoxy-5-fluorobenzylcyanide|Benzeneacetonitrile,5-fluoro-2-methoxy-|5-FLUORO-2-METHOXYBENZYL CYANIDE|OTAVA-BB 1780050|CK2057|5-Fluoro-2-methoxybenzeneacetonitrile|2-(5-fluoro-2-methoxyphenyl)ethanenitrile|Benzeneacetonitrile, 5-fluoro-2-methoxy- (9CI)|682-064-5

CAS: 501008-41-9
Molecular Formula C9H8FNO
Molecular Weight 165.05899 g/mol
LogP 1.6
Topological Polar Surface Area 33.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 165.05899
Monoisotopic Mass 165.05899
Heavy Atoms 12
Complexity 186.0

Chemical Identifiers

CAS Number 501008-41-9
SMILES COC1=C(C=C(C=C1)F)CC#N
InChIKey BHJFTJPFOVONOM-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (4 patents) Organic Building Blocks (1 patents) Pharmaceutical Intermediates (5 patents)

Product Overview

2-(5-Fluoro-2-methoxyphenyl)acetonitrile (CAS 501008-41-9), with molecular formula C9H8FNO and molecular weight 165.05899 g/mol. IUPAC: 2-(5-fluoro-2-methoxyphenyl)acetonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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