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2-[3-(4-fluorophenyl)propanoyl]benzonitrile

2-[3-(4-fluorophenyl)propanoyl]benzonitrile structure

CAS No:
898767-96-9
Formula:
C16H12FNO
Chemical Name:
2-[3-(4-fluorophenyl)propanoyl]benzonitrile

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2-[3-(4-fluorophenyl)propanoyl]benzonitrile Basic Attributes

Molecular Weight：

253.27100

Exact Mass：

253.090292168

DSSTox ID：

DTXSID80644567

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

3.51288

Density：

1.2g/cm3

Boiling Point：

426.6ºC at 760 mmHg

Flash Point：

211.8ºC

Refractive Index：

1.579

Computed Properties

Molecular Weight:253.27
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:253.090292168
Monoisotopic Mass:253.090292168
Topological Polar Surface Area:40.9
Heavy Atom Count:19
Complexity:351
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-(4-fluorophenyl)propanoyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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