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Home Boronic acids 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid

1-Methyl-3-trifluoromethylpyrazole-5-boronic acid

CAS No.:
344591-91-9
Catalog Number:
AG00I6T5
Molecular Formula:
C5H6BF3N2O2
Molecular Weight:
193.9195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$282
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00I6T5
Chemical Name:
1-Methyl-3-trifluoromethylpyrazole-5-boronic acid
CAS Number:
344591-91-9
Molecular Formula:
C5H6BF3N2O2
Molecular Weight:
193.9195
MDL Number:
MFCD08701785
IUPAC Name:
[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3
InChI Key:
XPUNXPPXMANQGF-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C)C(F)(F)F)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