Home Boronic acids 3-Cyanobenzylboronic acid pinacol ester

3-Cyanobenzylboronic acid pinacol ester

CAS No.:
517920-57-9
Catalog Number:
AG00I998
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$563
- +
10g
96%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00I998
Chemical Name:
3-Cyanobenzylboronic acid pinacol ester
CAS Number:
517920-57-9
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
MDL Number:
MFCD22577285
IUPAC Name:
3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzonitrile
InChI:
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)9-11-6-5-7-12(8-11)10-16/h5-8H,9H2,1-4H3
InChI Key:
KSRQVEBUMGQLQE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
342  
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