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2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile

2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile structure

CAS No:
898750-22-6
Formula:
C16H11ClFNO
Chemical Name:
2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile
Synonyms:
Benzonitrile,2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]-;2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile

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2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile Basic Attributes

Molecular Weight：

287.72

Exact Mass：

287.72

DSSTox ID：

DTXSID20644940

Characteristics

PSA：

40.9

XLogP3：

3.9

Density：

1.29g/cm3

Boiling Point：

450.6ºC at 760 mmHg

Flash Point：

226.3ºC

Refractive Index：

1.59

Computed Properties

Molecular Weight:287.71
XLogP3:3.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:287.0513198
Monoisotopic Mass:287.0513198
Topological Polar Surface Area:40.9
Heavy Atom Count:20
Complexity:391
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

2-[3-(3-Chloro-5-fluorophenyl)-1-oxopropyl]benzonitrile

SDS

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