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Home Other Building Blocks 3-Trifluoromethyl-1H-pyrazole

3-Trifluoromethyl-1H-pyrazole

CAS No.:
20154-03-4
Catalog Number:
AG002DHG
Molecular Formula:
C4H3F3N2
Molecular Weight:
136.0752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$62
- +
100g
95%
In Stock USA
United States
$188
- +
500g
95%
In Stock USA
United States
$863
- +
Product Description
Catalog Number:
AG002DHG
Chemical Name:
3-Trifluoromethyl-1H-pyrazole
CAS Number:
20154-03-4
Molecular Formula:
C4H3F3N2
Molecular Weight:
136.0752
MDL Number:
MFCD00115018
IUPAC Name:
5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChI Key:
PYXNITNKYBLBMW-UHFFFAOYSA-N
SMILES:
FC(c1cc[nH]n1)(F)F
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.077g/mol
Monoisotopic Mass:
136.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Estradiol meets notch signaling in developing neurons. Frontiers in endocrinology 20110101
Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorganic & medicinal chemistry letters 20080115
Unambiguous assignment of trifluoromethylpyrazole regioisomers by 19F-15N correlation spectroscopy. Magnetic resonance in chemistry : MRC 20070101
Fluorous synthesis of disubstituted pyrimidines. Organic letters 20030403
Properties