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Home Other Building Blocks 3-(TRIFLUOROMETHYL)-5-P-TOLYL-1H-PYRAZOLE

3-(TRIFLUOROMETHYL)-5-P-TOLYL-1H-PYRAZOLE

CAS No.:
26974-15-2
Catalog Number:
AG00C1M2
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%(GC)
In Stock USA
United States
$73
- +
1g
97%(GC)
In Stock USA
United States
$155
- +
5g
97%(GC)
In Stock USA
United States
$562
- +
Product Description
Catalog Number:
AG00C1M2
Chemical Name:
3-(TRIFLUOROMETHYL)-5-P-TOLYL-1H-PYRAZOLE
CAS Number:
26974-15-2
MDL Number:
MFCD07779618
IUPAC Name:
3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChI Key:
NQEFIPVOJGJVRG-UHFFFAOYSA-N
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.202g/mol
Monoisotopic Mass:
226.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Isolation, synthesis and characterization of impurities in celecoxib, a COX-2 inhibitor. Journal of pharmaceutical and biomedical analysis 20040629
Properties