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864426-78-8,MFCD17193486
Catalog No.:AA00IDZQ

864426-78-8 | 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$422.00   $295.00
- +
1g
97%
in stock  
$977.00   $684.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IDZQ
Chemical Name:
1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CAS Number:
864426-78-8
Molecular Formula:
C14H13F3N2O2
Molecular Weight:
298.2604
MDL Number:
MFCD17193486
SMILES:
CCOC(=O)c1cc(nn1C)c1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
368  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page37]

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page39

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:864426-78-8 Molecular Formula|864426-78-8 MDL|864426-78-8 SMILES|864426-78-8 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
Catalog No.: AA00IDZQ
864426-78-8,MFCD17193486
864426-78-8 | 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
Pack Size： 250mg
Purity： 97%
in stock
$422.00 $295.00
Pack Size： 1g
Purity： 97%
in stock
$977.00 $684.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IDZQ
Chemical Name: 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CAS Number: 864426-78-8
Molecular Formula: C14H13F3N2O2
Molecular Weight: 298.2604
MDL Number: MFCD17193486
SMILES: CCOC(=O)c1cc(nn1C)c1ccc(cc1)C(F)(F)F
Properties
Complexity: 368  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
639784-60-4    864426-78-8 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page37]

864426-78-8    639784-65-9 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2Locationinpatent:Page39

864426-78-8    639784-69-3 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2

709-63-7    864426-78-8 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/785,2003,A2

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