Home Boronic acids 2-Benzyloxy-3-cyano-5-fluorophenylboronic acid pinacol ester

2-Benzyloxy-3-cyano-5-fluorophenylboronic acid pinacol ester

CAS No.:
1661043-42-0
Catalog Number:
AG00HZ59
Molecular Formula:
C20H21BFNO3
Molecular Weight:
353.1950
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$688
- +
5g
95%
In Stock USA
United States
$2063
- +
Product Description
Catalog Number:
AG00HZ59
Chemical Name:
2-Benzyloxy-3-cyano-5-fluorophenylboronic acid pinacol ester
CAS Number:
1661043-42-0
Molecular Formula:
C20H21BFNO3
Molecular Weight:
353.1950
MDL Number:
MFCD30182417
IUPAC Name:
5-fluoro-2-phenylmethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C20H21BFNO3/c1-19(2)20(3,4)26-21(25-19)17-11-16(22)10-15(12-23)18(17)24-13-14-8-6-5-7-9-14/h5-11H,13H2,1-4H3
InChI Key:
MDRRMYPFEVEYLO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.16g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.2g/mol
Monoisotopic Mass:
353.16g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties