Home Boronic acids 1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid

1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid

CAS No.:
1361380-69-9
Catalog Number:
AG009WUZ
Molecular Formula:
C7H10BF3N2O2
Molecular Weight:
221.9727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$94
- +
1g
97%
In Stock USA
United States
$250
- +
5g
97%
In Stock USA
United States
$769
- +
10g
97%
In Stock USA
United States
$1138
- +
Product Description
Catalog Number:
AG009WUZ
Chemical Name:
1-Isopropyl-3-(trifluoromethyl)pyrazole-5-boronic acid
CAS Number:
1361380-69-9
Molecular Formula:
C7H10BF3N2O2
Molecular Weight:
221.9727
MDL Number:
MFCD24448764
IUPAC Name:
[2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C7H10BF3N2O2/c1-4(2)13-6(8(14)15)3-5(12-13)7(9,10)11/h3-4,14-15H,1-2H3
InChI Key:
BRTYYHMOCKZIPM-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C(C)C)C(F)(F)F)O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.974g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties