Catalog No.:AA00I0F0

1820608-05-6 | 4-Methanesulfonyl-3-methylbenzonitrile

Name: Name:4-Methanesulfonyl-3-methylbenzonitrile
Brand: AABLOCKS
SKU: AA00I0F0
Rating: 90 (10 reviews)

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Purity

Availability

Price(USD)

Quantity

98%

in stock

$250.00 $175.00

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98%

in stock

$900.00 $630.00

Technical Information
Properties
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Technical Information

Catalog Number:

AA00I0F0

Chemical Name:

4-Methanesulfonyl-3-methylbenzonitrile

CAS Number:

1820608-05-6

Molecular Formula:

C9H9NO2S

Molecular Weight:

195.2383

MDL Number:

MFCD27981301

SMILES:

N#Cc1ccc(c(c1)C)S(=O)(=O)C

Properties

Computed Properties

Complexity:

319

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

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Historical Records

331272-19-6

Tags:1820608-05-6 Molecular Formula|1820608-05-6 MDL|1820608-05-6 SMILES|1820608-05-6 4-Methanesulfonyl-3-methylbenzonitrile

Catalog No.: AA00I0F0

1820608-05-6 | 4-Methanesulfonyl-3-methylbenzonitrile

Pack Size： 1g

Purity： 98%

in stock

$250.00 $175.00

Pack Size： 5g

Purity： 98%

in stock

$900.00 $630.00

Quantity

- +

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Technical Information

Catalog Number: AA00I0F0

Chemical Name: 4-Methanesulfonyl-3-methylbenzonitrile

CAS Number: 1820608-05-6

Molecular Formula: C9H9NO2S

Molecular Weight: 195.2383

MDL Number: MFCD27981301

SMILES: N#Cc1ccc(c(c1)C)S(=O)(=O)C

Properties

Complexity: 319

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.7

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