Home Nitriles 4-(Benzyloxy)benzonitrile

4-(Benzyloxy)benzonitrile

CAS No.:
52805-36-4
Catalog Number:
AG003KTM
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$207
- +
Product Description
Catalog Number:
AG003KTM
Chemical Name:
4-(Benzyloxy)benzonitrile
CAS Number:
52805-36-4
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD00079701
IUPAC Name:
4-phenylmethoxybenzonitrile
InChI:
InChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
InChI Key:
UDAOJHAASAWVIQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Thermodynamics, kinetics, and dynamics of the two alternative aniomesolytic fragmentations of C-O bonds: an electrochemical and theoretical study. Journal of the American Chemical Society 20020501
Properties