Home Boronic acids 2-Fluoro-5-nitro-3-(trifluoromethyl)phenylboronic acid, pinacol ester

2-Fluoro-5-nitro-3-(trifluoromethyl)phenylboronic acid, pinacol ester

CAS No.:
2096336-43-3
Catalog Number:
AG01EHDI
Molecular Formula:
C13H14BF4NO4
Molecular Weight:
335.0592
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG01EHDI
Chemical Name:
2-Fluoro-5-nitro-3-(trifluoromethyl)phenylboronic acid, pinacol ester
CAS Number:
2096336-43-3
Molecular Formula:
C13H14BF4NO4
Molecular Weight:
335.0592
MDL Number:
MFCD20491444
IUPAC Name:
2-[2-fluoro-5-nitro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H14BF4NO4/c1-11(2)12(3,4)23-14(22-11)9-6-7(19(20)21)5-8(10(9)15)13(16,17)18/h5-6H,1-4H3
InChI Key:
MAXOMANZLLMOOF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)C(F)(F)F)F
Properties
Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.095g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.062g/mol
Monoisotopic Mass:
335.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties