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88023-07-8,MFCD00068091
Catalog No.:AA00GSZQ

88023-07-8 | 2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester

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250mg
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1g
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5g
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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:
AA00GSZQ
Chemical Name:
2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester
CAS Number:
88023-07-8
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
MDL Number:
MFCD00068091
SMILES:
CCOC(=O)C(C(=O)C)Cc1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
270  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.1071-1074

88023-07-8    19500-02-8   
ethyl3-(4-fluorophenyl)-6-methoxy-7-methyl-1H-indole-2-carboxylate 

[1]Patent:WO2017/93727,2017,A1.Locationinpatent:Paragraph00177-00180

Literature
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SDS
Tags:88023-07-8 Molecular Formula|88023-07-8 MDL|88023-07-8 SMILES|88023-07-8 2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester