3-(1-(4-chlorophenyl)-3-oxobutan-2-yl)benzonitrile
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3-(1-(4-chlorophenyl)-3-oxobutan-2-yl)benzonitrile
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CAS No:
848311-03-5
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Formula:
C17H14ClNO
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Chemical Name:
3-(1-(4-chlorophenyl)-3-oxobutan-2-yl)benzonitrile
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Synonyms:
3-(1-(4-chlorophenyl)-3-oxobutan-2-yl)benzonitrile;3-[1-(4-CHLOROPHENYL)-3-OXOBUTAN-2-YL]BENZONITRILE;SCHEMBL3578785;CTK2I5068;KS-00001ECA;DTXSID60457036;CS-M0876;AKOS015899487;CS-13719;DA-02404
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CAS No:
3-(1-(4-chlorophenyl)-3-oxobutan-2-yl)benzonitrile Basic Attributes
283.75216
283.076
DTXSID60457036
Characteristics
40.9
3.9
1.21±0.1 g/cm3(Predicted)
71-72 °C(Solv: toluene (108-88-3); heptane (142-82-5))
Computed Properties
Molecular Weight:283.7
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:283.0763918
Monoisotopic Mass:283.0763918
Topological Polar Surface Area:40.9
Heavy Atom Count:20
Complexity:378
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-(1-(4-chlorophenyl)-3-oxobutan-2-yl)benzonitrile
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