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Home > Encyclopedia > 4-(Trifluoromethoxy)benzoyl acetonitrile

4-(Trifluoromethoxy)benzoyl acetonitrile

4-(Trifluoromethoxy)benzoyl acetonitrile structure

4-(Trifluoromethoxy)benzoyl acetonitrile 

structure
  • CAS No:

    122454-46-0

  • Formula:

    C10H6F3NO2

  • Chemical Name:

    4-(Trifluoromethoxy)benzoyl acetonitrile

  • Synonyms:

    3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile;

4-(Trifluoromethoxy)benzoyl acetonitrile Basic Attributes

229.15500

229.03506292

DTXSID90380429

2926909090

Characteristics

50.09000

2.68158

1.338 g/cm3

82-84ºC

315.4ºC at 760 mmHg

144.6ºC

Safety Information

UN 3439

R20/21/22

26-36/37/39

T

Computed Properties

Molecular Weight:229.15
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:229.03506292
Monoisotopic Mass:229.03506292
Topological Polar Surface Area:50.1
Heavy Atom Count:16
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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