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AI08088

1101167-56-9 | 4-(1H-Pyrazol-4-yl)benzonitrile

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% in stock $297.00 $208.00 -   +
1g 95% in stock $712.00 $498.00 -   +

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Description
Catalog Number: AI08088
Chemical Name: 4-(1H-Pyrazol-4-yl)benzonitrile
CAS Number: 1101167-56-9
Molecular Formula: C10H7N3
Molecular Weight: 169.18267999999998
MDL Number: MFCD11933267
SMILES: N#Cc1ccc(cc1)c1c[nH]nc1

 

Computed Properties
Complexity: 210  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 1  
XLogP3: 1.6  

 

 

Upstream Synthesis Route 
  • 4-(1H-pyrazol-4-yl)benzonitrile, commonly known as Benzonitrile, 4-(1H-pyrazol-4-yl)-, is a versatile compound widely used in chemical synthesis. This product serves as a key building block in organic chemistry, particularly in the formation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it a valuable intermediate in the synthesis of complex molecules with biological activity. Benzonitrile, 4-(1H-pyrazol-4-yl)- plays a crucial role in the development of new compounds and materials with potential applications in drug discovery and material science.
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