Home Nitriles 4-(2-Cyanophenyl)benzonitrile

4-(2-Cyanophenyl)benzonitrile

CAS No.:
42289-52-1
Catalog Number:
AG00CLOD
Molecular Formula:
C14H8N2
Molecular Weight:
204.2267
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00CLOD
Chemical Name:
4-(2-Cyanophenyl)benzonitrile
CAS Number:
42289-52-1
Molecular Formula:
C14H8N2
Molecular Weight:
204.2267
MDL Number:
MFCD05980346
IUPAC Name:
2-(4-cyanophenyl)benzonitrile
InChI:
InChI=1S/C14H8N2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H
InChI Key:
LCMOCANUWRJQAS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccccc1C#N
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.232g/mol
Monoisotopic Mass:
204.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties