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925142-81-0,MFCD03428265
Catalog No.:AA00GTL9

925142-81-0 | 1-[1-(3-Chlorophenyl)-1h-pyrazol-4-yl]ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GTL9
Chemical Name:
1-[1-(3-Chlorophenyl)-1h-pyrazol-4-yl]ethanone
CAS Number:
925142-81-0
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD03428265
SMILES:
Clc1cccc(c1)n1ncc(c1)C(=O)C
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/22818,2013,A1Locationinpatent:Paragraph00330

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2014/160668,2014,A1Locationinpatent:Page/Pagecolumn119

108-90-7    25016-16-4    925142-81-0   
1-(1-(2-chlorophenyl)-1H-pyrazol-4-yl)ethenone 
 
1-(1-(4-chlorophenyl)-1H-pyrazol-4-yl)ethanone 

[1]AngewandteChemie-InternationalEdition,2019,vol.58,p.13318-13322    Angew.Chem.,2019,p.13452-13456,5

Literature
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SDS
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Tags:925142-81-0 Molecular Formula|925142-81-0 MDL|925142-81-0 SMILES|925142-81-0 1-[1-(3-Chlorophenyl)-1h-pyrazol-4-yl]ethanone |Halogenated_Heterocycles