Home Boronic acids 2-(2,2,2-Trifluoroethylamino)pyrimidine-5-boronic acid, pinacol ester

2-(2,2,2-Trifluoroethylamino)pyrimidine-5-boronic acid, pinacol ester

CAS No.:
1218789-32-2
Catalog Number:
AG00166L
Molecular Formula:
C12H17BF3N3O2
Molecular Weight:
303.0885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$200
- +
1g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG00166L
Chemical Name:
2-(2,2,2-Trifluoroethylamino)pyrimidine-5-boronic acid, pinacol ester
CAS Number:
1218789-32-2
Molecular Formula:
C12H17BF3N3O2
Molecular Weight:
303.0885
MDL Number:
MFCD12546561
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
InChI:
InChI=1S/C12H17BF3N3O2/c1-10(2)11(3,4)21-13(20-10)8-5-17-9(18-6-8)19-7-12(14,15)16/h5-6H,7H2,1-4H3,(H,17,18,19)
InChI Key:
CLROMBSCGHZMME-UHFFFAOYSA-N
SMILES:
FC(CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.092g/mol
Monoisotopic Mass:
303.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties