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Home Nitriles 4,4'-Biphenyldicarbonitrile

4,4'-Biphenyldicarbonitrile

CAS No.:
1591-30-6
Catalog Number:
AG001QHG
Molecular Formula:
C14H8N2
Molecular Weight:
204.2267
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$57
- +
5g
96%
In Stock USA
United States
$232
- +
10g
96%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG001QHG
Chemical Name:
4,4'-Biphenyldicarbonitrile
CAS Number:
1591-30-6
Molecular Formula:
C14H8N2
Molecular Weight:
204.2267
MDL Number:
MFCD00013805
IUPAC Name:
4-(4-cyanophenyl)benzonitrile
InChI:
InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
InChI Key:
KAXYYLCSSXFXKR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)C#N
EC Number:
216-468-6
NSC Number:
87879
Properties
Complexity:
279  
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:
3.8  
Literature
Title Journal
2-(Biphenyl-4-yl)propan-2-ol. Acta crystallographica. Section E, Structure reports online 20120301
Properties