Home Boronic acids 4-Cyanomethylphenylboronic acid, pinacol ester

4-Cyanomethylphenylboronic acid, pinacol ester

CAS No.:
138500-86-4
Catalog Number:
AG0019BP
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$282
- +
100g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG0019BP
Chemical Name:
4-Cyanomethylphenylboronic acid, pinacol ester
CAS Number:
138500-86-4
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
MDL Number:
MFCD02179459
IUPAC Name:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
InChI:
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-11(6-8-12)9-10-16/h5-8H,9H2,1-4H3
InChI Key:
URWMFRYGXSHPRV-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.143g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.113g/mol
Monoisotopic Mass:
243.143g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties