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5-Acetyl-2-bromo-benzonitrile

5-Acetyl-2-bromo-benzonitrile structure

CAS No:
1263285-73-9
Formula:
C9H6BrNO
Chemical Name:
5-Acetyl-2-bromo-benzonitrile
Synonyms:
5-acetyl-2-bromobenzonitrile;5-Acetyl-2-bromo-benzonitrile;CTK8E5148;KS-00000RUA;DTXSID90677422;4-BROMO-3-CYANOACETOPHENONE;ZINC66325826;AKOS015890921;DS-7255;AK141319

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5-Acetyl-2-bromo-benzonitrile Basic Attributes

Molecular Weight：

224

Exact Mass：

222.963272

DSSTox ID：

DTXSID90677422

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

Density：

1.56±0.1 g/cm3(Predicted)

Boiling Point：

350.6±37.0 °C(Predicted)

Flash Point：

165.8±26.5 °C

Refractive Index：

1.593

Computed Properties

Molecular Weight:224.05
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.96328
Monoisotopic Mass:222.96328
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Acetyl-2-bromo-benzonitrile

Basic Attributes
Characteristics
Computed Properties

5-Acetyl-2-bromo-benzonitrile

SDS

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