Home Boronic acids 3-Cyano-5-(trifluoromethyl)phenylboronic acid

3-Cyano-5-(trifluoromethyl)phenylboronic acid

CAS No.:
1212021-62-9
Catalog Number:
AG0073YW
Molecular Formula:
C8H5BF3NO2
Molecular Weight:
214.9370
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$188
- +
1g
97%
In Stock USA
United States
$438
- +
5g
97%
In Stock USA
United States
$1750
- +
Product Description
Catalog Number:
AG0073YW
Chemical Name:
3-Cyano-5-(trifluoromethyl)phenylboronic acid
CAS Number:
1212021-62-9
Molecular Formula:
C8H5BF3NO2
Molecular Weight:
214.9370
MDL Number:
MFCD03095102
IUPAC Name:
[3-cyano-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF3NO2/c10-8(11,12)6-1-5(4-13)2-7(3-6)9(14)15/h1-3,14-15H
InChI Key:
CTJAWCWPRYNDDQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.037g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.938g/mol
Monoisotopic Mass:
215.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties