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4-pyridin-3-ylbenzonitrile

4-pyridin-3-ylbenzonitrile structure

CAS No:
294648-03-6
Formula:
C12H8N2
Chemical Name:
4-pyridin-3-ylbenzonitrile
Synonyms:
4-(3-pyridyl)benzonitrile; 4-Pyridin-3-yl-benzonitrile; 4-(3-pyridinyl)benzonitrile; Benzonitrile,4-(3-pyridinyl);

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4-pyridin-3-ylbenzonitrile Basic Attributes

Molecular Weight：

180.20500

Exact Mass：

180.068748264 g/mol

DSSTox ID：

DTXSID10363916

HScode：

2933399090

Characteristics

PSA：

36.68000

XLogP3：

2.62028

Density：

1.17g/cm3

Boiling Point：

356.8ºC at 760 mmHg

Flash Point：

123.5ºC

Refractive Index：

1.62

Vapor Pressure：

2.85E-05mmHg at 25°C

Computed Properties

Molecular Weight:180.20
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:180.068748264
Monoisotopic Mass:180.068748264
Topological Polar Surface Area:36.7
Heavy Atom Count:14
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-pyridin-3-ylbenzonitrile

Basic Attributes
Characteristics
Computed Properties

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