Home Fluorides 191724-12-6
191724-12-6,MFCD06801898
Catalog No.:AA002FCQ

191724-12-6 | 4-(3-Trifluoromethylphenyl)phenol

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  • Technical Information
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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA002FCQ
Chemical Name:
4-(3-Trifluoromethylphenyl)phenol
CAS Number:
191724-12-6
Molecular Formula:
C13H9F3O
Molecular Weight:
238.2052
MDL Number:
MFCD06801898
SMILES:
Oc1ccc(cc1)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
244  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Kozachuk,D.N.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1971,vol.7,p.1976-1981][ZhurnalOrganicheskoiKhimii,1971,vol.7,#9,p.1906-1911]

[1]CurrentPatentAssignee:ICAGENINC;PFIZERINC-US2012/10182,2012,A1Locationinpatent:Page/Pagecolumn30

[2]Badone;Baroni;Cardamone;Ielmini;Guzzi[JournalofOrganicChemistry,1997,vol.62,#21,p.7170-7173]

[1]CurrentPatentAssignee:PFIZERINC-WO2015/181797,2015,A1Locationinpatent:Page/Pagecolumn106;107

[2]Storer,R.Ian;Pike,Andy;Swain,NigelA.;Alexandrou,AristosJ.;Bechle,BruceM.;Blakemore,DavidC.;Brown,AlanD.;Castle,NeilA.;Corbett,MatthewS.;Flanagan,NeilJ.;Fengas,David;Johnson,M.Scott;Jones,LynH.;Marron,BrianE.;Payne,C.Elizabeth;Printzenhoff,David;Rawson,DavidJ.;Rose,ColinR.;Ryckmans,Thomas;Sun,Jianmin;Theile,JonathanW.;Torella,Rubben;Tseng,Elaine;Warmus,JosephS.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#21,p.4805-4811]

[3]EdsallJr.,RichardJ;Harris,HeatherA;Manas,EricS;Mewshaw,RichardE[Bioorganicandmedicinalchemistry,2003,vol.11,#16,p.3457-3474]

[4]Soellner,MatthewB.;Rawls,KatherineA.;Grundner,Christoph;Alber,Tom;Ellman,JonathanA.[JournaloftheAmericanChemicalSociety,2007,vol.129,#31,p.9613-9615]

[1]Soellner,MatthewB.;Rawls,KatherineA.;Grundner,Christoph;Alber,Tom;Ellman,JonathanA.[JournaloftheAmericanChemicalSociety,2007,vol.129,#31,p.9613-9615]

[1]Kozachuk,D.N.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1971,vol.7,p.1976-1981][ZhurnalOrganicheskoiKhimii,1971,vol.7,#9,p.1906-1911]

Literature
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Tags:191724-12-6 Molecular Formula|191724-12-6 MDL|191724-12-6 SMILES|191724-12-6 4-(3-Trifluoromethylphenyl)phenol