+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Carboxes 117738-76-8
117738-76-8,MFCD09999808
Catalog No.:AA0038VT

117738-76-8 | 4-Chloro-3-cyanobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$26.00   $18.00
- +
1g
98%
in stock  
$88.00   $61.00
- +
  • 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:
AA0038VT
Chemical Name:
4-Chloro-3-cyanobenzoic acid
CAS Number:
117738-76-8
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
MDL Number:
MFCD09999808
SMILES:
N#Cc1cc(ccc1Cl)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  

Upstream Synthesis Route

[1]Patent:US5597823,1997,A,

[2]Patent:EP279698,1990,A3,

[1]Patent:EP1757610,2007,A1,.Locationinpatent:Page/Pagecolumn18

[1]EuropeanJournalofMedicinalChemistry,2013,vol.64,p.302-313

[1]Patent:WO2017/12970,2017,A2,.Locationinpatent:Page/Pagecolumn107

[1]JournalofMedicinalChemistry,2000,vol.43,#8,p.1586-1603

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2000,vol.43,p.1586-1603

[2]Patent:US5597823,1997,A

[1]JournalofMedicinalChemistry,2000,vol.43,p.1586-1603

[1]JournalofMedicinalChemistry,2000,vol.43,p.1586-1603

[2]Patent:WO2007/4688,2007,A1.Locationinpatent:Page/Pagecolumn21-22

[3]Patent:WO2008/100620,2008,A2.Locationinpatent:Page/Pagecolumn24

[4]Patent:WO2008/100635,2008,A1.Locationinpatent:Page/Pagecolumn25

[5]Patent:EP2036561,2009,A1.Locationinpatent:Page/Pagecolumn6

[1]JournalofMedicinalChemistry,2000,vol.43,p.1586-1603

[1]JournalofMedicinalChemistry,2000,vol.43,p.1586-1603

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 117738-76-8
Building Blocks
More >
Tags:117738-76-8 Molecular Formula|117738-76-8 MDL|117738-76-8 SMILES|117738-76-8 4-Chloro-3-cyanobenzoic acid