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Home Boronic acids 2-(2,2,2-Trifluoroethoxy)pyrimidine-5-boronic acid

2-(2,2,2-Trifluoroethoxy)pyrimidine-5-boronic acid

CAS No.:
1401163-85-6
Catalog Number:
AG009AZC
Molecular Formula:
C6H6BF3N2O3
Molecular Weight:
221.9296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$400
- +
1g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG009AZC
Chemical Name:
2-(2,2,2-Trifluoroethoxy)pyrimidine-5-boronic acid
CAS Number:
1401163-85-6
Molecular Formula:
C6H6BF3N2O3
Molecular Weight:
221.9296
MDL Number:
MFCD07375137
IUPAC Name:
[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C6H6BF3N2O3/c8-6(9,10)3-15-5-11-1-4(2-12-5)7(13)14/h1-2,13-14H,3H2
InChI Key:
AQKQSXGEHZAYIS-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)OCC(F)(F)F)O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.93g/mol
Monoisotopic Mass:
222.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties