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3-bromo-4-(2-methylpropoxy)benzonitrile

3-bromo-4-(2-methylpropoxy)benzonitrile structure

CAS No:
208665-95-6
Formula:
C11H12BrNO
Chemical Name:
3-bromo-4-(2-methylpropoxy)benzonitrile
Synonyms:
3-BROMO-4-ISOBUTOXYBENZONITRILE;3-Bromo-4-(2-methylpropoxy)benzonitrile;4-Thiazolidone, 2-imino-;SCHEMBL2636175;4-isobutoxy-3-bromobenzonitrile;CTK0J9646;DTXSID70677400;ANW-66574;ZINC64034184;AKOS015888646

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3-bromo-4-(2-methylpropoxy)benzonitrile Basic Attributes

Molecular Weight：

254.12

Exact Mass：

253.01000

DSSTox ID：

DTXSID70677400

HScode：

2926909090

Characteristics

PSA：

XLogP3：

3.35558

Density：

1.36

Boiling Point：

319.417ºC at 760 mmHg

Flash Point：

146.978ºC

Refractive Index：

1.552

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:254.12
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:253.01023
Monoisotopic Mass:253.01023
Topological Polar Surface Area:33
Heavy Atom Count:14
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-4-(2-methylpropoxy)benzonitrile

Basic Attributes
Characteristics
Computed Properties

3-bromo-4-(2-methylpropoxy)benzonitrile

SDS

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