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130569-96-9,MFCD11909539
Catalog No.:AA01AFXW

130569-96-9 | 2-[(2-formyl-1H-pyrrol-1-yl)methyl]benzonitrile

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100mg
95%
1 week  
$42.00   $29.00
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250mg
95%
1 week  
$96.00   $67.00
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1g
95%
1 week  
$283.00   $198.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01AFXW
Chemical Name:
2-[(2-formyl-1H-pyrrol-1-yl)methyl]benzonitrile
CAS Number:
130569-96-9
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD11909539
SMILES:
O=Cc1cccn1Cc1ccccc1C#N
Properties
Computed Properties
 
Complexity:
294  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Costi,Roberta;Métifiot,Mathieu;Esposito,Francesca;CuzzucoliCrucitti,Giuliana;Pescatori,Luca;Messore,Antonella;Scipione,Luigi;Tortorella,Silvano;Zinzula,Luca;Novellino,Ettore;Pommier,Yves;Tramontano,Enzo;Marchand,Christophe;DiSanto,Roberto[JournalofMedicinalChemistry,2013,vol.56,#21,p.8588-8598]

[2]Coreli;Garofalo;Massa;Silvestri;Prosini;Artico[JournalofHeterocyclicChemistry,1990,vol.27,#5,p.1489-1493]

[1]Coreli;Garofalo;Massa;Silvestri;Prosini;Artico[JournalofHeterocyclicChemistry,1990,vol.27,#5,p.1489-1493]

[1]Locationinpatent:schemeortableSanto,R.Di[CurrentMedicinalChemistry,2011,vol.18,#22,p.3335-3342]

[1]Santo,R.Di[CurrentMedicinalChemistry,2011,vol.18,#22,p.3335-3342]

[2]Costi,Roberta;Métifiot,Mathieu;Esposito,Francesca;CuzzucoliCrucitti,Giuliana;Pescatori,Luca;Messore,Antonella;Scipione,Luigi;Tortorella,Silvano;Zinzula,Luca;Novellino,Ettore;Pommier,Yves;Tramontano,Enzo;Marchand,Christophe;DiSanto,Roberto[JournalofMedicinalChemistry,2013,vol.56,#21,p.8588-8598]

[1]Santo,R.Di[CurrentMedicinalChemistry,2011,vol.18,#22,p.3335-3342]

[2]Costi,Roberta;Métifiot,Mathieu;Esposito,Francesca;CuzzucoliCrucitti,Giuliana;Pescatori,Luca;Messore,Antonella;Scipione,Luigi;Tortorella,Silvano;Zinzula,Luca;Novellino,Ettore;Pommier,Yves;Tramontano,Enzo;Marchand,Christophe;DiSanto,Roberto[JournalofMedicinalChemistry,2013,vol.56,#21,p.8588-8598]

Literature
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SDS
Tags:130569-96-9 Molecular Formula|130569-96-9 MDL|130569-96-9 SMILES|130569-96-9 2-[(2-formyl-1H-pyrrol-1-yl)methyl]benzonitrile