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Home Boronic acids 1-Methyl-3-trifluoromethylpyrazole-4-boronic acid

1-Methyl-3-trifluoromethylpyrazole-4-boronic acid

CAS No.:
1138450-30-2
Catalog Number:
AG0009VA
Molecular Formula:
C5H6BF3N2O2
Molecular Weight:
193.9195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$88
- +
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$850
- +
10g
98%
In Stock USA
United States
$1150
- +
25g
98%
In Stock USA
United States
$2000
- +
Product Description
Catalog Number:
AG0009VA
Chemical Name:
1-Methyl-3-trifluoromethylpyrazole-4-boronic acid
CAS Number:
1138450-30-2
Molecular Formula:
C5H6BF3N2O2
Molecular Weight:
193.9195
MDL Number:
MFCD13619875
IUPAC Name:
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C5H6BF3N2O2/c1-11-2-3(6(12)13)4(10-11)5(7,8)9/h2,12-13H,1H3
InChI Key:
CVTMJOHFLLGAIA-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(F)(F)F)B(O)O
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.92g/mol
Monoisotopic Mass:
194.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties