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Home Nitriles 4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile

4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile

CAS No.:
28487-61-8
Catalog Number:
AG002VI8
Molecular Formula:
C17H11N3
Molecular Weight:
257.2893
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG002VI8
Chemical Name:
4-[1-Cyano-2-(4-cyanophenyl)ethyl]benzonitrile
CAS Number:
28487-61-8
Molecular Formula:
C17H11N3
Molecular Weight:
257.2893
MDL Number:
MFCD09270111
IUPAC Name:
4-[2-cyano-2-(4-cyanophenyl)ethyl]benzonitrile
InChI:
InChI=1S/C17H11N3/c18-10-14-3-1-13(2-4-14)9-17(12-20)16-7-5-15(11-19)6-8-16/h1-8,17H,9H2
InChI Key:
CZSUCJJIYBEUFD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC(c1ccc(cc1)C#N)C#N
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.296g/mol
Monoisotopic Mass:
257.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties