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Home Carboxes 5001-94-5
5001-94-5,MFCD03426503
Catalog No.:AA00D90S

5001-94-5 | [4-(3-Chlorophenyl)phenyl]acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$162.00   $113.00
- +
1g
98%
in stock  
$510.00   $357.00
- +
5g
98%
in stock  
$1,950.00   $1,365.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D90S
Chemical Name:
[4-(3-Chlorophenyl)phenyl]acetic acid
CAS Number:
5001-94-5
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD03426503
SMILES:
OC(=O)Cc1ccc(cc1)c1cccc(c1)Cl
Properties
Properties
 
BP:
418.5°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Ghoneim,OlaM.;Legere,JacquelineA.;Golbraikh,Alexander;Tropsha,Alexander;Booth,RaymondG.[BioorganicandMedicinalChemistry,2006,vol.14,#19,p.6640-6658]

[1]Ghoneim,OlaM.;Legere,JacquelineA.;Golbraikh,Alexander;Tropsha,Alexander;Booth,RaymondG.[BioorganicandMedicinalChemistry,2006,vol.14,#19,p.6640-6658]

[1]Ghoneim,OlaM.;Legere,JacquelineA.;Golbraikh,Alexander;Tropsha,Alexander;Booth,RaymondG.[BioorganicandMedicinalChemistry,2006,vol.14,#19,p.6640-6658]

5001-94-5   
Cl-6APT 

[1]Ghoneim,OlaM.;Legere,JacquelineA.;Golbraikh,Alexander;Tropsha,Alexander;Booth,RaymondG.[BioorganicandMedicinalChemistry,2006,vol.14,#19,p.6640-6658]

Literature
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SDS
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