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Home Carboxes 1261685-26-0
1261685-26-0,MFCD18392433
Catalog No.:AA00HIZQ

1261685-26-0 | 3-Chloro-4-cyanobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$56.00   $39.00
- +
1g
95%
in stock  
$68.00   $48.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HIZQ
Chemical Name:
3-Chloro-4-cyanobenzoic acid
CAS Number:
1261685-26-0
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
MDL Number:
MFCD18392433
SMILES:
N#Cc1ccc(cc1Cl)C(=O)O
Properties
Computed Properties
 
Complexity:
233  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route
117738-74-6   
3-chloro-4-cyanobenzoicacid 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2975031,2016,A1

214759-66-7   
3-chloro-4-cyanobenzoicacid 

[1]Patent:EP2975031,2016,A1.Locationinpatent:Paragraph0897

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2975031,2016,A1Locationinpatent:Paragraph1013

25118-59-6   
3-chloro-4-cyanobenzoicacid 

[1]Patent:EP3192791,2017,A1

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP3192791,2017,A1

Literature
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Additional Info:
SDS
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Tags:1261685-26-0 Molecular Formula|1261685-26-0 MDL|1261685-26-0 SMILES|1261685-26-0 3-Chloro-4-cyanobenzoic acid