Home Boronic acids 3-(Tetrahydropyran-2-yl)methoxy-5-trifluoromethylphenylboronic acid, pinacol ester

3-(Tetrahydropyran-2-yl)methoxy-5-trifluoromethylphenylboronic acid, pinacol ester

CAS No.:
2096341-86-3
Catalog Number:
AG01EH59
Molecular Formula:
C19H26BF3O4
Molecular Weight:
386.2135
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG01EH59
Chemical Name:
3-(Tetrahydropyran-2-yl)methoxy-5-trifluoromethylphenylboronic acid, pinacol ester
CAS Number:
2096341-86-3
Molecular Formula:
C19H26BF3O4
Molecular Weight:
386.2135
MDL Number:
MFCD18434455
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(oxan-2-ylmethoxy)-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C19H26BF3O4/c1-17(2)18(3,4)27-20(26-17)14-9-13(19(21,22)23)10-16(11-14)25-12-15-7-5-6-8-24-15/h9-11,15H,5-8,12H2,1-4H3
InChI Key:
BMZHYBAXJQFTLD-UHFFFAOYSA-N
SMILES:
FC(c1cc(OCC2CCCCO2)cc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.188g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.218g/mol
Monoisotopic Mass:
386.188g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties