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Home Nitriles 4-Phenylbenzonitrile

4-Phenylbenzonitrile

CAS No.:
2920-38-9
Catalog Number:
AG002XO7
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG002XO7
Chemical Name:
4-Phenylbenzonitrile
CAS Number:
2920-38-9
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
MDL Number:
MFCD00001821
IUPAC Name:
4-phenylbenzonitrile
InChI:
InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChI Key:
BPMBNLJJRKCCRT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccccc1
EC Number:
220-860-2
NSC Number:
176013
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.222g/mol
Monoisotopic Mass:
179.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Liquid-crystalline heterodimesogens and ABA-heterotrimesogens comprising a bent 3,5-diphenyl-1,2,4-oxadiazole central unit. Beilstein journal of organic chemistry 20120101
An efficient organocatalytic method for constructing biaryls through aromatic C-H activation. Nature chemistry 20101201
Modification of supramolecular binding motifs induced by substrate registry: formation of self-assembled macrocycles and chain-like patterns. Chemistry (Weinheim an der Bergstrasse, Germany) 20091026
Oligomeric rod-disc nematic liquid crystals. Chemical communications (Cambridge, England) 20070328
Modeling a liquid crystal dynamics by atomistic simulation with an ab initio derived force field. The journal of physical chemistry. B 20060216
Forces in the isotropic phase of a confined nematic liquid crystal 5CB. Physical review. E, Statistical, nonlinear, and soft matter physics 20011101
Properties