Home Fluorides 128694-64-4
128694-64-4,MFCD25121754
Catalog No.:AA000Y90
128694-64-4 | 1H-Pyrazole, 1-ethyl-5-methyl-3-(trifluoromethyl)-
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1g
95%
in stock  
$80.00
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5g
95%
in stock  
$267.00
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10g
95%
in stock  
$467.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000Y90
Chemical Name:
1H-Pyrazole, 1-ethyl-5-methyl-3-(trifluoromethyl)-
CAS Number:
128694-64-4
Molecular Formula:
C7H9F3N2
Molecular Weight:
178.1550
MDL Number:
MFCD25121754
IUPAC Name:
1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C7H9F3N2/c1-3-12-5(2)4-6(11-12)7(8,9)10/h4H,3H2,1-2H3
InChI Key:
GAPUAVPXVZVBIP-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1C)C(F)(F)F
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.158g/mol
Monoisotopic Mass:
178.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
1-Ethyl-5-methyl-3-(trifluoromethyl)pyrazole 
128694-64-4 
Z9433 
K-4005 
1-Ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole 
C7H9F3N2 
1H-Pyrazole, 1-ethyl-5-methyl-3-(trifluoromethyl)- 
ACMC-20msxz 
SCHEMBL8322070 
CTK0C1655 
DTXSID00563847 
GAPUAVPXVZVBIP-UHFFFAOYSA-N 
ZINC34362460 
AKOS026672685 
Literature
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