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550364-01-7,MFCD23701622
Catalog No.:AA003HY0

550364-01-7 | 3-(2H-1,2,3-Triazol-4-yl)benzonitrile

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Purity
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100mg
95%
in stock  
$124.00   $87.00
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250mg
95%
in stock  
$153.00   $107.00
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1g
95%
in stock  
$361.00   $253.00
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5g
95%
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$1,407.00   $985.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HY0
Chemical Name:
3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CAS Number:
550364-01-7
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD23701622
SMILES:
N#Cc1cccc(c1)c1n[nH]nc1
Properties
Properties
 
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1  

Upstream Synthesis Route

[1]Synthesis(Germany),2016,vol.48,#1,p.131-135

[1]JournalofMedicinalChemistry,2004,vol.47,#19,p.4645-4648

[1]JournalofMedicinalChemistry,2012,vol.55,#11,p.5270-5290

[1]JournalofMedicinalChemistry,2004,vol.47,#19,p.4645-4648

[1]JournalofMedicinalChemistry,2004,vol.47,#19,p.4645-4648

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2004,vol.47,p.4645-4648

107263-95-6    550364-01-7   
3-(1-pyridin-2-yl-1<i>H</i>-1,2,3triazol-4-yl)-benzonitrile 
 
3-(2-pyridin-2-yl-2<i>H</i>-1,2,3triazol-4-yl)-benzonitrile 

[1]JournalofMedicinalChemistry,2004,vol.47,p.4645-4648

[1]JournalofMedicinalChemistry,2004,vol.47,p.4645-4648

[1]JournalofMedicinalChemistry,2004,vol.47,p.4645-4648

[1]JournalofMedicinalChemistry,2012,vol.55,p.5270-5290

Literature

Title: Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.

Journal: Journal of medicinal chemistry 20120614

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