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3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile

3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile structure

CAS No:
898784-55-9
Formula:
C16H10F3NO
Chemical Name:
3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
Synonyms:
Benzonitrile,3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-;3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile

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3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile Basic Attributes

Molecular Weight：

289.25200

Exact Mass：

289.25

DSSTox ID：

DTXSID30642336

Characteristics

PSA：

40.86000

XLogP3：

4.00248

Density：

1.3g/cm3

Boiling Point：

405.1ºC at 760 mmHg

Flash Point：

198.8ºC

Refractive Index：

1.548

Computed Properties

Molecular Weight:289.25
XLogP3:3.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:289.07144843
Monoisotopic Mass:289.07144843
Topological Polar Surface Area:40.9
Heavy Atom Count:21
Complexity:415
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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