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194804-99-4,MFCD06658439
Catalog No.:AA0074F5

194804-99-4 | 3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
≥ 97% (HPLC)
in stock  
$177.00   $124.00
- +
250mg
≥ 97% (HPLC)
in stock  
$318.00   $223.00
- +
1g
≥ 97% (HPLC)
in stock  
$624.00   $437.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0074F5
Chemical Name:
3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester
CAS Number:
194804-99-4
Molecular Formula:
C12H12BrFO4
Molecular Weight:
319.1237
MDL Number:
MFCD06658439
SMILES:
CCOC(=O)CC(=O)c1ccc(c(c1F)OC)Br
Properties
Computed Properties
 
Complexity:
311  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

[1]Wang,Qiuping;Lucien,Edlaine;Hashimoto,Akihiro;Pais,GodwinC.G.;Nelson,DavidM.;Song,Yongsheng;Thanassi,JaneA.;Marlor,ChristopherW.;Thoma,ChristyL.;Cheng,Jijun;Podos,StevenD.;Ou,Yangsi;Deshpande,Milind;Pucci,MichaelJ.;Buechter,DouglasD.;Bradbury,BartonJ.;Wiles,JasonA.[JournalofMedicinalChemistry,2007,vol.50,#2,p.199-210]

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

Literature
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SDS
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Tags:194804-99-4 Molecular Formula|194804-99-4 MDL|194804-99-4 SMILES|194804-99-4 3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester
Catalog No.: AA0074F5
194804-99-4,MFCD06658439
194804-99-4 | 3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester
Pack Size： 100mg
Purity： ≥ 97% (HPLC)
in stock
$177.00 $124.00
Pack Size： 250mg
Purity： ≥ 97% (HPLC)
in stock
$318.00 $223.00
Pack Size： 1g
Purity： ≥ 97% (HPLC)
in stock
$624.00 $437.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0074F5
Chemical Name: 3-(4-Bromo-2-fluoro-3-methoxy-phenyl)-3-oxo-propionic acid ethyl ester
CAS Number: 194804-99-4
Molecular Formula: C12H12BrFO4
Molecular Weight: 319.1237
MDL Number: MFCD06658439
SMILES: CCOC(=O)CC(=O)c1ccc(c(c1F)OC)Br
Properties
Complexity: 311  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
845829-94-9    194804-99-4 

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

194804-92-7    194804-99-4 

[1]Wang,Qiuping;Lucien,Edlaine;Hashimoto,Akihiro;Pais,GodwinC.G.;Nelson,DavidM.;Song,Yongsheng;Thanassi,JaneA.;Marlor,ChristopherW.;Thoma,ChristyL.;Cheng,Jijun;Podos,StevenD.;Ou,Yangsi;Deshpande,Milind;Pucci,MichaelJ.;Buechter,DouglasD.;Bradbury,BartonJ.;Wiles,JasonA.[JournalofMedicinalChemistry,2007,vol.50,#2,p.199-210]

1526-17-6    194804-99-4 

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

437-83-2    194804-99-4 

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

484-94-6    194804-99-4 

[1]JournalofMedicinalChemistry,2007,vol.50,p.199-210

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