Home Boronic acids 5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester

5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester

CAS No.:
1225069-85-1
Catalog Number:
AG0017CF
Molecular Formula:
C20H21BF3NO3
Molecular Weight:
391.1918
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(GC)
In Stock USA
United States
$137
- +
100mg
98%(GC)
In Stock USA
United States
$221
- +
250mg
98%(GC)
In Stock USA
United States
$429
- +
500mg
98%(GC)
In Stock USA
United States
$743
- +
1g
98%(GC)
In Stock USA
United States
$1401
- +
Product Description
Catalog Number:
AG0017CF
Chemical Name:
5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester
CAS Number:
1225069-85-1
Molecular Formula:
C20H21BF3NO3
Molecular Weight:
391.1918
MDL Number:
MFCD11844801
IUPAC Name:
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide
InChI:
InChI=1S/C20H21BF3NO3/c1-18(2)19(3,4)28-21(27-18)15-9-6-10-16(12-15)25-17(26)13-7-5-8-14(11-13)20(22,23)24/h5-12H,1-4H3,(H,25,26)
InChI Key:
IUZSQEGKYZLEDM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.157g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
391.197g/mol
Monoisotopic Mass:
391.157g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties