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189161-09-9,MFCD09800704
Catalog No.:AA002HVT

189161-09-9 | 3-Chloro-5-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$17.00   $12.00
- +
1g
97%
in stock  
$45.00   $32.00
- +
5g
97%
in stock  
$64.00   $45.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002HVT
Chemical Name:
3-Chloro-5-methylbenzonitrile
CAS Number:
189161-09-9
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD09800704
SMILES:
N#Cc1cc(C)cc(c1)Cl
Properties
Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature

Title: Cyanation of arenes via iridium-catalyzed borylation.

Journal: Journal of the American Chemical Society 20100825

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Tags:189161-09-9 Molecular Formula|189161-09-9 MDL|189161-09-9 SMILES|189161-09-9 3-Chloro-5-methylbenzonitrile
Catalog No.: AA002HVT
189161-09-9,MFCD09800704
189161-09-9 | 3-Chloro-5-methylbenzonitrile
Pack Size： 250mg
Purity： 97%
in stock
$17.00 $12.00
Pack Size： 1g
Purity： 97%
in stock
$45.00 $32.00
Pack Size： 5g
Purity： 97%
in stock
$64.00 $45.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA002HVT
Chemical Name: 3-Chloro-5-methylbenzonitrile
CAS Number: 189161-09-9
Molecular Formula: C8H6ClN
Molecular Weight: 151.5929
MDL Number: MFCD09800704
SMILES: N#Cc1cc(C)cc(c1)Cl
Properties
Complexity: 158  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Literature fold

Title: Cyanation of arenes via iridium-catalyzed borylation.

Journal: Journal of the American Chemical Society20100825

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