Home Boronic acids 2-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester

2-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester

CAS No.:
957066-13-6
Catalog Number:
AG003GS3
Molecular Formula:
C14H17BBrF3O3
Molecular Weight:
380.9932
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG003GS3
Chemical Name:
2-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CAS Number:
957066-13-6
Molecular Formula:
C14H17BBrF3O3
Molecular Weight:
380.9932
MDL Number:
MFCD09475917
IUPAC Name:
2-[2-(bromomethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BBrF3O3/c1-12(2)13(3,4)22-15(21-12)11-6-5-10(7-9(11)8-16)20-14(17,18)19/h5-7H,8H2,1-4H3
InChI Key:
CJXUOEJTOXQAMB-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.041g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.996g/mol
Monoisotopic Mass:
380.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties