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187999-33-3,MFCD06410266
Catalog No.:AA002GJO

187999-33-3 | 5-(4-Chlorophenyl)nicotinic acid

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1g
≥95%
in stock  
$290.00   $203.00
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5g
97%
in stock  
$999.00   $699.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002GJO
Chemical Name:
5-(4-Chlorophenyl)nicotinic acid
CAS Number:
187999-33-3
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD06410266
SMILES:
Clc1ccc(cc1)c1cncc(c1)C(=O)O
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableKort,MichaelE.;Atkinson,RobertN.;Thomas,JamesB.;Drizin,Irene;Johnson,MatthewS.;Secrest,MatthewA.;Gregg,RobertJ.;Scanio,MarcJ.C.;Shi,Lei;Hakeem,AhmedH.;Matulenko,MarkA.;Chapman,MarkL.;Krambis,MichaelJ.;Liu,Dong;Shieh,Char-Chang;Zhang,Xufeng;Simler,Gricelda;Mikusa,JosephP.;Zhong,Chengmin;Joshi,Shailen;Honore,Prisca;Roeloffs,Rosemarie;Werness,Stephen;Antonio,Brett;Marsh,KennanC.;Faltynek,ConnieR.;Krafte,DouglasS.;Jarvis,MichaelF.;Marron,BrianE.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#22,p.6812-6815]

[1]Locationinpatent:schemeortableKort,MichaelE.;Atkinson,RobertN.;Thomas,JamesB.;Drizin,Irene;Johnson,MatthewS.;Secrest,MatthewA.;Gregg,RobertJ.;Scanio,MarcJ.C.;Shi,Lei;Hakeem,AhmedH.;Matulenko,MarkA.;Chapman,MarkL.;Krambis,MichaelJ.;Liu,Dong;Shieh,Char-Chang;Zhang,Xufeng;Simler,Gricelda;Mikusa,JosephP.;Zhong,Chengmin;Joshi,Shailen;Honore,Prisca;Roeloffs,Rosemarie;Werness,Stephen;Antonio,Brett;Marsh,KennanC.;Faltynek,ConnieR.;Krafte,DouglasS.;Jarvis,MichaelF.;Marron,BrianE.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#22,p.6812-6815]

[1]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6812-6815

Literature
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SDS
Tags:187999-33-3 Molecular Formula|187999-33-3 MDL|187999-33-3 SMILES|187999-33-3 5-(4-Chlorophenyl)nicotinic acid