Home Boronic acids 1-Methyl-3-trifluoromethyl-1h-pyrazole-4-boronic acid, pinacol ester

1-Methyl-3-trifluoromethyl-1h-pyrazole-4-boronic acid, pinacol ester

CAS No.:
1218790-53-4
Catalog Number:
AG00169R
Molecular Formula:
C11H16BF3N2O2
Molecular Weight:
276.0631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$282
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Product Description
Catalog Number:
AG00169R
Chemical Name:
1-Methyl-3-trifluoromethyl-1h-pyrazole-4-boronic acid, pinacol ester
CAS Number:
1218790-53-4
Molecular Formula:
C11H16BF3N2O2
Molecular Weight:
276.0631
MDL Number:
MFCD11867868
IUPAC Name:
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)7-6-17(5)16-8(7)11(13,14)15/h6H,1-5H3
InChI Key:
MUZZCKPFJNQCIH-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.066g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties