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

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

CAS No.:
2096334-68-6
Catalog Number:
AG01EHOH
Molecular Formula:
C13H14BBrFNO2
Molecular Weight:
325.9692
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$300
- +
5g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EHOH
Chemical Name:
5-Bromo-4-cyano-2-fluorophenylboronic acid, pinacol ester
CAS Number:
2096334-68-6
Molecular Formula:
C13H14BBrFNO2
Molecular Weight:
325.9692
MDL Number:
MFCD18837630
IUPAC Name:
2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H14BBrFNO2/c1-12(2)13(3,4)19-14(18-12)9-6-10(15)8(7-17)5-11(9)16/h5-6H,1-4H3
InChI Key:
WVXNCZKNBKPFGO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1Br)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.028g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.972g/mol
Monoisotopic Mass:
325.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties