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4-(imidazol-1-ylmethyl)benzonitrile

4-(imidazol-1-ylmethyl)benzonitrile structure

CAS No:
112809-54-8
Formula:
C11H9N3
Chemical Name:
4-(imidazol-1-ylmethyl)benzonitrile
Synonyms:
4'-cyanobenzyl-1-imidazole;

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

Molecular Weight：

183.20900

Exact Mass：

183.079647300

DSSTox ID：

DTXSID80361242

HScode：

2933290090

Characteristics

PSA：

41.61000

XLogP3：

1.80308

Density：

1.11g/cm3

Melting Point：

102.5-103.5ºC

Boiling Point：

398ºC

Flash Point：

194.5ºC

Refractive Index：

1.608

Vapor Pressure：

1.52E-06mmHg at 25°C

Computed Properties

Molecular Weight:183.21
XLogP3:1.3
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-(imidazol-1-ylmethyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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