Home Boronic acids 5-Cyano-2-fluoro-3-methoxyphenylboronic acid, pinacol ester

5-Cyano-2-fluoro-3-methoxyphenylboronic acid, pinacol ester

CAS No.:
1150561-55-9
Catalog Number:
AG000FRW
Molecular Formula:
C14H17BFNO3
Molecular Weight:
277.0991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$350
- +
1g
95%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG000FRW
Chemical Name:
5-Cyano-2-fluoro-3-methoxyphenylboronic acid, pinacol ester
CAS Number:
1150561-55-9
Molecular Formula:
C14H17BFNO3
Molecular Weight:
277.0991
MDL Number:
MFCD12026087
IUPAC Name:
4-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)10-6-9(8-17)7-11(18-5)12(10)16/h6-7H,1-5H3
InChI Key:
MDLUJXDPEWBRKS-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.129g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.102g/mol
Monoisotopic Mass:
277.129g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties