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Home Boronic acids 1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid

1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid

CAS No.:
1218790-73-8
Catalog Number:
AG0016AK
Molecular Formula:
C6H8BF3N2O3
Molecular Weight:
223.9455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$219
- +
250mg
95%
In Stock USA
United States
$438
- +
1g
95%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG0016AK
Chemical Name:
1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid
CAS Number:
1218790-73-8
Molecular Formula:
C6H8BF3N2O3
Molecular Weight:
223.9455
MDL Number:
MFCD15143477
IUPAC Name:
[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C6H8BF3N2O3/c1-15-3-12-2-4(7(13)14)5(11-12)6(8,9)10/h2,13-14H,3H2,1H3
InChI Key:
RBAPGEYGJQXEFO-UHFFFAOYSA-N
SMILES:
COCn1cc(c(n1)C(F)(F)F)B(O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.946g/mol
Monoisotopic Mass:
224.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties