Home Boronic acids 2-Cyano-4-(trifluoromethyl)phenylboronic acid

2-Cyano-4-(trifluoromethyl)phenylboronic acid

CAS No.:
1218790-84-1
Catalog Number:
AG0016A9
Molecular Formula:
C8H5BF3NO2
Molecular Weight:
214.9370
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$500
- +
5g
95%
In Stock USA
United States
$2000
- +
Product Description
Catalog Number:
AG0016A9
Chemical Name:
2-Cyano-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1218790-84-1
Molecular Formula:
C8H5BF3NO2
Molecular Weight:
214.9370
MDL Number:
MFCD13195679
IUPAC Name:
[2-cyano-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H5BF3NO2/c10-8(11,12)6-1-2-7(9(14)15)5(3-6)4-13/h1-3,14-15H
InChI Key:
DELAZGQTKSRLPA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1B(O)O)C(F)(F)F
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