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179057-34-2,MFCD07687291
Catalog No.:AA0026NP

179057-34-2 | 4-((1H-Pyrazol-1-yl)methyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$95.00   $67.00
- +
5g
98%
in stock  
$211.00   $148.00
- +
25g
98%
in stock  
$411.00   $288.00
- +
100g
98%
in stock  
$677.00 $474.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0026NP
Chemical Name:
4-((1H-Pyrazol-1-yl)methyl)benzonitrile
CAS Number:
179057-34-2
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD07687291
SMILES:
N#Cc1ccc(cc1)Cn1cccn1
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:179057-34-2 Molecular Formula|179057-34-2 MDL|179057-34-2 SMILES|179057-34-2 4-((1H-Pyrazol-1-yl)methyl)benzonitrile
Catalog No.: AA0026NP
179057-34-2,MFCD07687291
179057-34-2 | 4-((1H-Pyrazol-1-yl)methyl)benzonitrile
Pack Size： 1g
Purity： 98%
in stock
$95.00 $67.00
Pack Size： 5g
Purity： 98%
in stock
$211.00 $148.00
Pack Size： 25g
Purity： 98%
in stock
$411.00 $288.00
Pack Size： 100g
Purity： 98%
in stock
$677.00 $474.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0026NP
Chemical Name: 4-((1H-Pyrazol-1-yl)methyl)benzonitrile
CAS Number: 179057-34-2
Molecular Formula: C11H9N3
Molecular Weight: 183.2093
MDL Number: MFCD07687291
SMILES: N#Cc1ccc(cc1)Cn1cccn1
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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