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950858-13-6,MFCD16657157
Catalog No.:AA00IINI

950858-13-6 | 1-(tert-Butyl)-5-chloro-1h-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$254.00   $178.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IINI
Chemical Name:
1-(tert-Butyl)-5-chloro-1h-pyrazole-4-carboxylic acid
CAS Number:
950858-13-6
Molecular Formula:
C8H11ClN2O2
Molecular Weight:
202.6381
MDL Number:
MFCD16657157
SMILES:
OC(=O)c1cnn(c1Cl)C(C)(C)C
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Patent:US2007/225280,2007,A1.Locationinpatent:Page/Pagecolumn30-32

Literature
Quotation Request
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Additional Info:
SDS
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Tags:950858-13-6 Molecular Formula|950858-13-6 MDL|950858-13-6 SMILES|950858-13-6 1-(tert-Butyl)-5-chloro-1h-pyrazole-4-carboxylic acid