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142818-01-7,MFCD11707231
Catalog No.:AA007KJT

142818-01-7 | 3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$139.00   $97.00
- +
1g
97%
in stock  
$313.00   $219.00
- +
5g
97%
in stock  
$1,408.00 $986.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007KJT
Chemical Name:
3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
142818-01-7
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD11707231
SMILES:
OC(=O)c1cn(nc1C(F)(F)F)c1ccccc1
Properties
Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Patent:WO2006/82952,2006,A1.Locationinpatent:Page/Pagecolumn175-176

[1]Molecules,2012,vol.17,p.14205-14218

[2]Patent:WO2008/141976,2008,A1.Locationinpatent:Page/Pagecolumn55

[3]Patent:US2010/152445,2010,A1.Locationinpatent:Page/Pagecolumn8

[4]BioorganicandMedicinalChemistry,2010,vol.18,p.2785-2795

[5]Patent:WO2008/11130,2008,A2.Locationinpatent:Page/Pagecolumn134-135

[6]Patent:WO2008/11131,2008,A2.Locationinpatent:Page/Pagecolumn270-271

[7]Patent:US2007/123504,2007,A1.Locationinpatent:Page/Pagecolumn29

[8]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.2527-2531

[1]Patent:EP1845081,2007,A1

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.2785-2795

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.2785-2795

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:142818-01-7 Molecular Formula|142818-01-7 MDL|142818-01-7 SMILES|142818-01-7 3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
Catalog No.: AA007KJT
142818-01-7,MFCD11707231
142818-01-7 | 3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
Pack Size： 250mg
Purity： 97%
in stock
$139.00 $97.00
Pack Size： 1g
Purity： 97%
in stock
$313.00 $219.00
Pack Size： 5g
Purity： 97%
in stock
$1,408.00 $986.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007KJT
Chemical Name: 3-(Trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
CAS Number: 142818-01-7
Molecular Formula: C11H7F3N2O2
Molecular Weight: 256.1807
MDL Number: MFCD11707231
SMILES: OC(=O)c1cn(nc1C(F)(F)F)c1ccccc1
Properties
Complexity: 316  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
98-80-6    155377-19-8    142818-01-7 

[1]Patent:WO2006/82952,2006,A1.Locationinpatent:Page/Pagecolumn175-176

741717-63-5    142818-01-7 

[1]Molecules,2012,vol.17,p.14205-14218

[2]Patent:WO2008/141976,2008,A1.Locationinpatent:Page/Pagecolumn55

[3]Patent:US2010/152445,2010,A1.Locationinpatent:Page/Pagecolumn8

[4]BioorganicandMedicinalChemistry,2010,vol.18,p.2785-2795

[5]Patent:WO2008/11130,2008,A2.Locationinpatent:Page/Pagecolumn134-135

[6]Patent:WO2008/11131,2008,A2.Locationinpatent:Page/Pagecolumn270-271

[7]Patent:US2007/123504,2007,A1.Locationinpatent:Page/Pagecolumn29

[8]BioorganicandMedicinalChemistryLetters,2015,vol.25,p.2527-2531

905590-60-5    98-80-6    155377-19-8    142818-01-7 

[1]Patent:EP1845081,2007,A1

77087-60-6    142818-01-7    1003579-30-3 

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.2785-2795

142818-01-7    255735-88-7    1003577-93-2 

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.2785-2795

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