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2-(1,1-Dimethylethyl)benzonitrile

2-(1,1-Dimethylethyl)benzonitrile structure

CAS No:
68527-72-0
Formula:
C11H13N
Chemical Name:
2-(1,1-Dimethylethyl)benzonitrile
Synonyms:
Benzonitrile,2-(1,1-dimethylethyl)-;Benzonitrile,o-tert-butyl-;2-(1,1-Dimethylethyl)benzonitrile;2-tert-Butylbenzonitrile

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2-(1,1-Dimethylethyl)benzonitrile Basic Attributes

Molecular Weight：

159.23 g/mol

Exact Mass：

159.23

DSSTox ID：

DTXSID6071615

Characteristics

PSA：

23.8 Å²

Boiling Point：

243-244 °C

2-(1,1-Dimethylethyl)benzonitrile Use and Manufacturing

Manufacturing Info：

Benzonitrile, 2-(1,1-dimethylethyl)-: INACTIVE

Computed Properties

Molecular Weight:159.23
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:159.104799419
Monoisotopic Mass:159.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,1-Dimethylethyl)benzonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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