Home Boronic acids 3-Butoxy-5-trifluoromethylphenylboronic acid

3-Butoxy-5-trifluoromethylphenylboronic acid

CAS No.:
1256345-45-5
Catalog Number:
AG000NZ6
Molecular Formula:
C11H14BF3O3
Molecular Weight:
262.0333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
25g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG000NZ6
Chemical Name:
3-Butoxy-5-trifluoromethylphenylboronic acid
CAS Number:
1256345-45-5
Molecular Formula:
C11H14BF3O3
Molecular Weight:
262.0333
MDL Number:
MFCD16660266
IUPAC Name:
[3-butoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H14BF3O3/c1-2-3-4-18-10-6-8(11(13,14)15)5-9(7-10)12(16)17/h5-7,16-17H,2-4H2,1H3
InChI Key:
WKEXJPCKQLCFIS-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.035g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties