α-Acetyl-4-fluorobenzeneacetonitrile
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α-Acetyl-4-fluorobenzeneacetonitrile
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CAS No:
447-03-0
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Formula:
C10H8FNO
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Chemical Name:
α-Acetyl-4-fluorobenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-acetyl-4-fluoro-;Acetoacetonitrile,2-(p-fluorophenyl)-;α-Acetyl-4-fluorobenzeneacetonitrile;2-(4-Fluorophenyl)-3-oxobutanenitrile;2-(4-Fluoro-phenyl)-3-oxo-butyronitrile;2-(4-Fluoro-phenyl)-acetoacetonitrile
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CAS No:
Description
2-(4-fluorophenyl)-3-oxobutyronitrile is a beta-ketonitrile. It derives from a butyronitrile.
Characteristics
40.86000
2.02188
1.175g/cm3
90 °C
237.7ºC at 760mmHg
97.5ºC
1.509
0.0442mmHg at 25°C
Computed Properties
Molecular Weight:177.17
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.058992041
Monoisotopic Mass:177.058992041
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:235
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-Acetyl-4-fluorobenzeneacetonitrile
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