Home Amines 1039815-76-3
1039815-76-3,MFCD11183542
Catalog No.:AA0092CF

1039815-76-3 | 2-Amino-6-chloro-3-fluorobenzoic acid

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100mg
95+%
in stock  
$68.00   $48.00
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1g
95%
in stock  
$93.00   $65.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0092CF
Chemical Name:
2-Amino-6-chloro-3-fluorobenzoic acid
CAS Number:
1039815-76-3
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD11183542
SMILES:
OC(=O)c1c(Cl)ccc(c1N)F
Properties
Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GILEADSCIENCESINC-WO2015/191754,2015,A2Locationinpatent:Paragraph00162

[1]CurrentPatentAssignee:GILEADSCIENCESINC-WO2015/191754,2015,A2

[1]CurrentPatentAssignee:GILEADSCIENCESINC-WO2015/191754,2015,A2

34306-42-8    1039815-76-3   
CASUnavailable 

[1]Patel,Leena;Chandrasekhar,Jayaraman;Evarts,Jerry;Forseth,Kristen;Haran,AaronC.;Ip,Carmen;Kashishian,Adam;Kim,Musong;Koditek,David;Koppenol,Sandy;Lad,Latesh;Lepist,Eve-Irene;McGrath,MaryE.;Perreault,Stephane;Puri,KamalD.;Villaseñor,ArmandoG.;Somoza,JohnR.;Steiner,BartH.;Therrien,Joseph;Treiberg,Jennifer;Phillips,Gary[JournalofMedicinalChemistry,2016,vol.59,#19,p.9228-9242]

2-amino-6-chloro-3-fluorobenzoicacid 
  155976-13-9   
C17H18ClFN2O4 

[1]JournalofMedicinalChemistry,2016,vol.59,p.9228-9242

Literature
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SDS
Tags:1039815-76-3 Molecular Formula|1039815-76-3 MDL|1039815-76-3 SMILES|1039815-76-3 2-Amino-6-chloro-3-fluorobenzoic acid