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214262-98-3,MFCD00800625
Catalog No.:AA0072B4

214262-98-3 | 1-(3-Fluorophenyl)cyclohexanecarboxylic acid

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0072B4
Chemical Name:
1-(3-Fluorophenyl)cyclohexanecarboxylic acid
CAS Number:
214262-98-3
Molecular Formula:
C13H15FO2
Molecular Weight:
222.2554
MDL Number:
MFCD00800625
SMILES:
Fc1cccc(c1)C1(CCCCC1)C(=O)O
Properties
Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Shao,Liming;Hewitt,MichaelC.;Wang,Fengjiang;Malcolm,ScottC.;Ma,Jianguo;Campbell,JohnE.;Campbell,UnaC.;Engel,SharonR.;Spicer,NancyA.;Hardy,LarryW.;Schreiber,Rudy;Spear,KerryL.;Varney,MarkA.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#5,p.1438-1441]

[1]Locationinpatent:schemeortableShao,Liming;Hewitt,MichaelC.;Wang,Fengjiang;Malcolm,ScottC.;Ma,Jianguo;Campbell,JohnE.;Campbell,UnaC.;Engel,SharonR.;Spicer,NancyA.;Hardy,LarryW.;Schreiber,Rudy;Spear,KerryL.;Varney,MarkA.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#5,p.1438-1441]

214262-98-3    124-40-3   
C15H20FNO 

[1]Locationinpatent:schemeortableShao,Liming;Hewitt,MichaelC.;Wang,Fengjiang;Malcolm,ScottC.;Ma,Jianguo;Campbell,JohnE.;Campbell,UnaC.;Engel,SharonR.;Spicer,NancyA.;Hardy,LarryW.;Schreiber,Rudy;Spear,KerryL.;Varney,MarkA.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#5,p.1438-1441]

[1]Shao,Liming;Hewitt,MichaelC.;Wang,Fengjiang;Malcolm,ScottC.;Ma,Jianguo;Campbell,JohnE.;Campbell,UnaC.;Engel,SharonR.;Spicer,NancyA.;Hardy,LarryW.;Schreiber,Rudy;Spear,KerryL.;Varney,MarkA.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#5,p.1438-1441]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/12477,2012,A1

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Tags:214262-98-3 Molecular Formula|214262-98-3 MDL|214262-98-3 SMILES|214262-98-3 1-(3-Fluorophenyl)cyclohexanecarboxylic acid