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3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile

3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile structure

CAS No:
898777-72-5
Formula:
C16H10F3NO
Chemical Name:
3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile
Synonyms:
3'-CYANO-3-(3,4,5-TRIFLUOROPHENYL)PROPIOPHENONE;

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3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile Basic Attributes

Molecular Weight：

289.25200

Exact Mass：

289.07144843

DSSTox ID：

DTXSID50644998

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

3.79108

Density：

1.31g/cm3

Boiling Point：

415.1ºC

Flash Point：

204.9ºC

Refractive Index：

1.552

Computed Properties

Molecular Weight:289.25
XLogP3:3.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:289.07144843
Monoisotopic Mass:289.07144843
Topological Polar Surface Area:40.9
Heavy Atom Count:21
Complexity:407
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[3-(3,4,5-trifluorophenyl)propanoyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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