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Home > Encyclopedia > 3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile

3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile

3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile structure

3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile 

structure
  • CAS No:

    842140-50-5

  • Formula:

    C9H4F3NO

  • Chemical Name:

    3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile

  • Synonyms:

    3,4,5-Trifluorobenzoylacetonitrile;

3-oxo-3-(3,4,5-trifluorophenyl)propanenitrile Basic Attributes

199.12900

199.02449824

DTXSID80375309

2926909090

Characteristics

40.86000

2.20028

1.387g/cm3

322.5ºC

148.9ºC

1.48

Safety Information

UN 3276

R20/21/22; R36/37/38

S26; S36/37/39

Computed Properties

Molecular Weight:199.13
XLogP3:1.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:199.02449824
Monoisotopic Mass:199.02449824
Topological Polar Surface Area:40.9
Heavy Atom Count:14
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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