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4-[5-(Trifluoromethyl)-2-pyridinyl]benzonitrile

4-[5-(Trifluoromethyl)-2-pyridinyl]benzonitrile structure

CAS No:
892501-99-4
Formula:
C13H7F3N2
Chemical Name:
4-[5-(Trifluoromethyl)-2-pyridinyl]benzonitrile
Synonyms:
Benzonitrile,4-[5-(trifluoromethyl)-2-pyridinyl]-;4-[5-(Trifluoromethyl)-2-pyridinyl]benzonitrile

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4-[5-(Trifluoromethyl)-2-pyridinyl]benzonitrile Basic Attributes

Molecular Weight：

248.20300

Exact Mass：

248.20

DSSTox ID：

DTXSID70640250

HScode：

2933399090

Characteristics

PSA：

36.68000

XLogP3：

3.63908

Density：

1.34g/cm3

Melting Point：

123ºC

Boiling Point：

335.4ºC at 760 mmHg

Flash Point：

156.6ºC

Refractive Index：

1.549

Computed Properties

Molecular Weight:248.20
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:248.05613272
Monoisotopic Mass:248.05613272
Topological Polar Surface Area:36.7
Heavy Atom Count:18
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[5-(Trifluoromethyl)-2-pyridinyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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