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1110767-89-9,MFCD29918463
Catalog No.:AA008ZS9

1110767-89-9 | (E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$168.00   $118.00
- +
1g
95%
in stock  
$279.00   $195.00
- +
5g
95%
in stock  
$912.00   $639.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008ZS9
Chemical Name:
(E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
CAS Number:
1110767-89-9
Molecular Formula:
C13H12Cl2O4
Molecular Weight:
303.1380
MDL Number:
MFCD29918463
SMILES:
CCOC(=O)/C(=C/c1c(Cl)cc(cc1Cl)C(=O)O)/C
Properties
Computed Properties
 
Complexity:
369  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.7  

Upstream Synthesis Route

[1]Patent:EP2184279,2010,A1,.Locationinpatent:Page/Pagecolumn25

Downstream Synthesis Route

[1]Patent:EP2184279,2010,A1.Locationinpatent:Page/Pagecolumn25

[1]Patent:EP2184279,2010,A1.Locationinpatent:Page/Pagecolumn24-25

1110767-89-9   
tert-butyl5-2-amino-4-(4-chlorothiophen-2-yl)thiazol-5-ylhexahydropyrrolo3,4-bpyrrole-1(2H)carboxylate 
 
tert-butyl(E)-5-(4-(4-chlorothiophen-2-yl)-2-(3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxo-propenyl)benzoylamino)thiazol-5-yl)hexahydropyrrolo3,4-bpyrrole-1(2H)carboxylate 

[1]Patent:EP3511332,2019,A1.Locationinpatent:Paragraph0212;0213

Literature
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SDS
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Tags:1110767-89-9 Molecular Formula|1110767-89-9 MDL|1110767-89-9 SMILES|1110767-89-9 (E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid