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21120-67-2,MFCD01862494
Catalog No.:AA002L4X

21120-67-2 | 4-(4-Chlorophenoxy)benzoic acid

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Purity
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100mg
98%
in stock  
$13.00   $9.00
- +
250mg
98%
in stock  
$16.00   $11.00
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1g
98%
in stock  
$34.00   $24.00
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5g
98%
in stock  
$167.00   $117.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002L4X
Chemical Name:
4-(4-Chlorophenoxy)benzoic acid
CAS Number:
21120-67-2
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
MDL Number:
MFCD01862494
SMILES:
Clc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-CH214901,1939,A

[2]Kawamatsu;Saraie;Imamiya;Nishikawa;Hamuro[Arzneimittel-Forschung/DrugResearch,1980,vol.30,#3,p.454-458]

[3]Rodrigues,Tiago;Ressurreição,AnaS.;DaCruz,FilipaP.;Albuquerque,InêsS.;Gut,Jiri;Carrasco,MartaP.;Gonçalves,Daniel;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Mota,MariaM.;Rosenthal,PhilipJ.;Moreira,Rui;Prudêncio,Miguel;Lopes,Francisca[EuropeanJournalofMedicinalChemistry,2013,vol.69,p.872-880]

[4]CurrentPatentAssignee:PFIZERINC-WO2014/68527,2014,A1Locationinpatent:Page/Pagecolumn91;92;162

[5]Gargano,EmanueleMarco;Perspicace,Enrico;Carotti,Angelo;Marchais-Oberwinkler,Sandrine;Hartmann,RolfW.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#1,p.21-24]

[6]Sun,Chi-Yu;Li,Yang-Sheng;Shi,Ai-Long;Li,Ya-Fei;Cao,Rui-Fang;Ding,Huai-Wei;Yin,Qing-Qing;Zhang,Li-Juan;Zheng,Hua-Chuan;Song,Hong-Rui[ChineseChemicalLetters,2015,vol.26,#10,p.1307-1310]

[7]Schnute,MarkE.;Benoit,StephenE.;Buchler,IngridP.;Caspers,Nicole;Grapperhaus,MargaretL.;Han,Seungil;Hotchandani,Rajeev;Huang,Nelson;Hughes,RobertO.;Juba,BrianM.;Kim,Kyung-Hee;Liu,Erica;McCarthy,Erin;Messing,Dean;Miyashiro,JoyS.;Mohan,Shashi;O'Connell,ThomasN.;Ohren,JeffreyF.;Parikh,MihirD.;Schmidt,Michelle;Selness,ShaunR.;Springer,JohnR.;Thanabal,Venkataraman;Trujillo,JohnI.;Walker,DanielP.;Wan,Zhao-Kui;Withka,JaneM.;Wittwer,ArthurJ.;Wood,NancyL.;Xing,Li;Zapf,ChristophW.;Douhan,John[ACSMedicinalChemistryLetters,2019,vol.10,#1,p.80-85]

[1]Rodrigues,Tiago;Ressurreição,AnaS.;DaCruz,FilipaP.;Albuquerque,InêsS.;Gut,Jiri;Carrasco,MartaP.;Gonçalves,Daniel;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Mota,MariaM.;Rosenthal,PhilipJ.;Moreira,Rui;Prudêncio,Miguel;Lopes,Francisca[EuropeanJournalofMedicinalChemistry,2013,vol.69,p.872-880]

[2]Carrasco,MartaP.;Newton,AnaS.;Gonçalves,Lídia;Góis,Ana;Machado,Marta;Gut,Jiri;Nogueira,Fátima;Hänscheid,Thomas;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Rosenthal,PhilipJ.;Moreira,Rui[EuropeanJournalofMedicinalChemistry,2014,vol.80,p.523-534]

[3]Carrasco,MartaP.;Machado,Marta;Gonçalves,Lídia;Sharma,Moni;Gut,Jiri;Lukens,AmandaK.;Wirth,DyannF.;André,Vânia;Duarte,MariaTeresa;Guedes,RitaC.;dosSantos,DanielJ.V.A.;Rosenthal,PhilipJ.;Mazitschek,Ralph;Prudêncio,Miguel;Moreira,Rui[ChemMedChem,2016,p.2194-2204]

[4]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-CH214901,1939,A

[1]Haydock;Mulholland;Telford;etal.[EuropeanJournalofMedicinalChemistry,1984,vol.19,#3,p.205-214]

[2]Huang,Junyang;Huang,Yunyuan;Li,Jian;Li,Wangsheng;Li,Xiaokang;Sun,Annan;Wang,Lan;Wang,Wei;Xu,Yixiang;Zhang,Chao;Zhang,Haiyan;Zhu,Jin[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[3]Huang,Junyang;Huang,Yunyuan;Li,Jian;Li,Wangsheng;Li,Xiaokang;Sun,Annan;Wang,Lan;Wang,Wei;Xu,Yixiang;Zhang,Chao;Zhang,Haiyan;Zhu,Jin[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[1]Haydock;Mulholland;Telford;etal.[EuropeanJournalofMedicinalChemistry,1984,vol.19,#3,p.205-214]

[1]Haydock;Mulholland;Telford;etal.[EuropeanJournalofMedicinalChemistry,1984,vol.19,#3,p.205-214]

[2]Haydock;Mulholland;Telford;etal.[EuropeanJournalofMedicinalChemistry,1984,vol.19,#3,p.205-214]

Literature
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SDS
Tags:21120-67-2 Molecular Formula|21120-67-2 MDL|21120-67-2 SMILES|21120-67-2 4-(4-Chlorophenoxy)benzoic acid