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501427-88-9,MFCD21332965
Catalog No.:AA00DKCT

501427-88-9 | Ethyl 4-(2-cyanophenyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$112.00   $78.00
- +
5g
97%
in stock  
$311.00   $218.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DKCT
Chemical Name:
Ethyl 4-(2-cyanophenyl)benzoate
CAS Number:
501427-88-9
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD21332965
SMILES:
CCOC(=O)c1ccc(cc1)c1ccccc1C#N
Properties
Properties
 
BP:
426.4±38.0 °C(Predicted)  
Form:
Solid  
MP:
115.0-117.3 °C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
349  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Tetrahedron,2002,vol.58,p.8417-8424

[1]AngewandteChemie-InternationalEdition,2008,vol.47,p.2089-2092

[1]EuropeanJournalofMedicinalChemistry,2019,vol.168,p.28-44

Literature
Quotation Request
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Additional Info:
SDS
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