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Home Boronic acids 3,5-Bis(trifluoromethyl)phenylboronic acid

3,5-Bis(trifluoromethyl)phenylboronic acid

CAS No.:
73852-19-4
Catalog Number:
AG003IJW
Molecular Formula:
C8H5BF6O2
Molecular Weight:
257.9255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$149
- +
500g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG003IJW
Chemical Name:
3,5-Bis(trifluoromethyl)phenylboronic acid
CAS Number:
73852-19-4
Molecular Formula:
C8H5BF6O2
Molecular Weight:
257.9255
MDL Number:
MFCD00051850
IUPAC Name:
[3,5-bis(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17/h1-3,16-17H
InChI Key:
BPTABBGLHGBJQR-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.926g/mol
Monoisotopic Mass:
258.029g/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
Boron-based rotaxanes by multicomponent self-assembly. Chemical communications (Cambridge, England) 20080821
Quantitative structure-activity relationship studies of [(biphenyloxy)propyl]isoxazole derivatives. Inhibitors of human rhinovirus 2 replication. Journal of medicinal chemistry 20070823
4,5,6,7-Tetrachlorobenzo[d][1,3,2]dioxaborol- 2-ol as an effective catalyst for the amide condensation of sterically demanding carboxylic acids. Organic letters 20060330
Properties