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3-methylsulfonylbenzonitrile

3-methylsulfonylbenzonitrile structure

CAS No:
22821-75-6
Formula:
C8H7NO2S
Chemical Name:
3-methylsulfonylbenzonitrile
Synonyms:
3-cyanophenyl methyl sulfone; 3-Methylsulfonylbenzonitrile; 3-Methylsulfon-benzonitril; 3-Methylsulfon-benzoesaeure-nitril; 3-methanesulfonylbenzonitrile; 3-Methansulfonyl-benzonitril;Expand

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3-methylsulfonylbenzonitrile Basic Attributes

Molecular Weight：

181.21200

Exact Mass：

181.01974964

DSSTox ID：

DTXSID10375539

HScode：

2926909090

Characteristics

PSA：

66.31000

XLogP3：

2.04258

Density：

1.32g/cm3

Melting Point：

48-51ºC

Boiling Point：

378.1ºC at 760 mmHg

Flash Point：

182.5ºC

Refractive Index：

1.57

Vapor Pressure：

6.45E-06mmHg at 25°C

Safety Information

Marks：

Computed Properties

Molecular Weight:181.21
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.01974964
Monoisotopic Mass:181.01974964
Topological Polar Surface Area:66.3
Heavy Atom Count:12
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methylsulfonylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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