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215589-24-5,MFCD01815090
Catalog No.:AA003K0T

215589-24-5 | 4-(4-Fluorophenoxy)benzonitrile

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1g
>98.0%(GC)
in stock  
$27.00   $19.00
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5g
>98.0%(GC)
in stock  
$80.00   $56.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003K0T
Chemical Name:
4-(4-Fluorophenoxy)benzonitrile
CAS Number:
215589-24-5
Molecular Formula:
C13H8FNO
Molecular Weight:
213.2071
MDL Number:
MFCD01815090
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1)F
Properties
Properties
 
Form:
Solid  
MP:
69℃  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Tanaka,Akira;Terasawa,Takeshi;Hagihara,Hiroyuki;Ishibe,Noriko;Sawada,Masae;Sakuma,Yuri;Hashimoto,Masaharu;Takasugi,Hisashi;Tanaka,Hirokazu[JournalofMedicinalChemistry,1998,vol.41,#22,p.4408-4420]

[2]CurrentPatentAssignee:PURDUEPHARMAL.P.-US2003/236273,2003,A1Locationinpatent:Page8

[3]CurrentPatentAssignee:SOULBRAINCO.,LTD.-KR2021/9942,2021,ALocationinpatent:Paragraph0164-0166

[4]Le,ThuyG.;Kundu,Abhijit;Ghoshal,Atanu;Nguyen,NghiH.;Preston,Sarah;Jiao,Yaqing;Ruan,Banfeng;Xue,Lian;Huang,Fei;Keiser,Jennifer;Hofmann,Andreas;Chang,BillC.H.;Garcia-Bustos,Jose;Wells,TimothyN.C.;Palmer,MichaelJ.;Jabbar,Abdul;Gasser,RobinB.;Baell,JonathanB.[JournalofMedicinalChemistry,2019,vol.62,#2,p.1036-1053]

[5]CurrentPatentAssignee:FOSHANANGELHEALTHINDUSTRY-CN105524058,2016,ALocationinpatent:Paragraph0421;0422;0423

[6]CurrentPatentAssignee:PURDUEPHARMAL.P.-US2002/40025,2002,A1

[7]Spink,Edward;Ding,Derong;Peng,Zhihong;Boudreau,MarcA.;Leemans,Erika;Lastochkin,Elena;Song,Wei;Lichtenwalter,Katerina;O'Daniel,PeterI.;Testero,SebastianA.;Pi,Hualiang;Schroeder,ValerieA.;Wolter,WilliamR.;Antunes,NunoT.;Suckow,MarkA.;Vakulenko,Sergei;Chang,Mayland;Mobashery,Shahriar[JournalofMedicinalChemistry,2015,vol.58,#3,p.1380-1389]

[8]Lele,ArundhatiC.;Raju,Archana;Khambete,MihirP.;Ray;Rajan;Arkile,ManishaA.;Jadhav,NandadeepJ.;Sarkar,Dhiman;Degani,MariamS.[ACSMedicinalChemistryLetters,2015,vol.6,#11,p.1140-1144]

[1]CurrentPatentAssignee:SOULBRAINCO.,LTD.-KR2021/9942,2021,ALocationinpatent:Paragraph0167-0169

Literature
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