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Home Boronic acids 4-Trifluoromethylphenylboronic acid

4-Trifluoromethylphenylboronic acid

CAS No.:
128796-39-4
Catalog Number:
AG000YEL
Molecular Formula:
C7H6BF3O2
Molecular Weight:
189.9275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$9
- +
5g
95%
In Stock USA
United States
$10
- +
25g
95%
In Stock USA
United States
$23
- +
100g
95%
In Stock USA
United States
$64
- +
Product Description
Catalog Number:
AG000YEL
Chemical Name:
4-Trifluoromethylphenylboronic acid
CAS Number:
128796-39-4
Molecular Formula:
C7H6BF3O2
Molecular Weight:
189.9275
MDL Number:
MFCD00151855
IUPAC Name:
[4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
InChI Key:
ALMFIOZYDASRRC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.041g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.928g/mol
Monoisotopic Mass:
190.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Aryl boronic acid inhibition of synthetic melanin polymerization. Bioorganic & medicinal chemistry letters 20100801
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. Journal of medicinal chemistry 20081127
ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism. Nature chemical biology 20071101
Properties