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Home Nitriles 3-Phenylbenzonitrile

3-Phenylbenzonitrile

CAS No.:
24973-50-0
Catalog Number:
AG002Q28
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(GC)
In Stock USA
United States
$72
- +
1g
97%
In Stock USA
United States
$74
- +
5g
97%
In Stock USA
United States
$178
- +
25g
97%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG002Q28
Chemical Name:
3-Phenylbenzonitrile
CAS Number:
24973-50-0
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
MDL Number:
MFCD00236364
IUPAC Name:
3-phenylbenzonitrile
InChI:
InChI=1S/C13H9N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H
InChI Key:
SYHJILPZUNKNHQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccccc1
Properties
Complexity:
219  
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
On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl. The Journal of chemical physics 20080114
Properties