Home Boronic acids 4-Propoxy-3-(trifluoromethyl)phenylboronic acid

4-Propoxy-3-(trifluoromethyl)phenylboronic acid

CAS No.:
1162257-45-5
Catalog Number:
AG000BZ4
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG000BZ4
Chemical Name:
4-Propoxy-3-(trifluoromethyl)phenylboronic acid
CAS Number:
1162257-45-5
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD20231450
IUPAC Name:
[4-propoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-2-5-17-9-4-3-7(11(15)16)6-8(9)10(12,13)14/h3-4,6,15-16H,2,5H2,1H3
InChI Key:
WXJILKLCSIMQCB-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C(F)(F)F)B(O)O
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.008g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties