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Home Boronic acids 1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid

1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid

CAS No.:
1141878-45-6
Catalog Number:
AG000AR1
Molecular Formula:
C9H12BF3N2O3
Molecular Weight:
264.0094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$400
- +
5g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG000AR1
Chemical Name:
1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid
CAS Number:
1141878-45-6
Molecular Formula:
C9H12BF3N2O3
Molecular Weight:
264.0094
MDL Number:
MFCD17214248
IUPAC Name:
[2-(oxan-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C9H12BF3N2O3/c11-9(12,13)6-5-7(10(16)17)15(14-6)8-3-1-2-4-18-8/h5,8,16-17H,1-4H2
InChI Key:
IIRVABFYRULQMI-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C1CCCCO1)C(F)(F)F)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.089g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.011g/mol
Monoisotopic Mass:
264.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties