Home Boronic acids 4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester

4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester

CAS No.:
1218790-13-6
Catalog Number:
AG00167X
Molecular Formula:
C13H14BClFNO2
Molecular Weight:
281.5182
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$125
- +
1g
96%
In Stock USA
United States
$313
- +
5g
96%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00167X
Chemical Name:
4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CAS Number:
1218790-13-6
Molecular Formula:
C13H14BClFNO2
Molecular Weight:
281.5182
MDL Number:
MFCD13195765
IUPAC Name:
2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H14BClFNO2/c1-12(2)13(3,4)19-14(18-12)9-5-8(7-17)10(15)6-11(9)16/h5-6H,1-4H3
InChI Key:
SSSWHKMAQLQQAC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1Cl)F
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.518g/mol
Monoisotopic Mass:
281.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties