Home Nitriles [4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile

[4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile

CAS No.:
905966-41-8
Catalog Number:
AG00GVKS
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00GVKS
Chemical Name:
[4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile
CAS Number:
905966-41-8
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
MDL Number:
MFCD11505333
IUPAC Name:
2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile
InChI:
InChI=1S/C13H16BNO2/c1-13(2)9-16-14(17-10-13)12-5-3-11(4-6-12)7-8-15/h3-6H,7,9-10H2,1-2H3
InChI Key:
ABRQBFUTHRPJKV-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)B1OCC(CO1)(C)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.127g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.086g/mol
Monoisotopic Mass:
229.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties