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4-(pyrazol-1-ylmethyl)benzonitrile

4-(pyrazol-1-ylmethyl)benzonitrile structure

CAS No:
179057-34-2
Formula:
C11H9N3
Chemical Name:
4-(pyrazol-1-ylmethyl)benzonitrile
Synonyms:
4-(1-Pyrazolylmethyl)benzonitrile; 4-(1H-pyrazol-1-ylmethyl)benzonitrile;

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4-(pyrazol-1-ylmethyl)benzonitrile Basic Attributes

Molecular Weight：

183.20900

Exact Mass：

183.079647300

DSSTox ID：

DTXSID70429244

HScode：

2933199090

Characteristics

PSA：

41.61000

XLogP3：

1.80308

Density：

1.111g/cm3

Melting Point：

80ºC

Boiling Point：

374.608ºC

Flash Point：

180.357ºC

Refractive Index：

1.609

Vapor Pressure：

0mmHg at 25°C

Safety Information

Marks：

Computed Properties

Molecular Weight:183.21
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:183.079647300
Monoisotopic Mass:183.079647300
Topological Polar Surface Area:41.6
Heavy Atom Count:14
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(pyrazol-1-ylmethyl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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