Home Nitriles 3-(4-Nitrophenyl)benzonitrile

3-(4-Nitrophenyl)benzonitrile

CAS No.:
1352318-54-7
Catalog Number:
AG007ZO7
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG007ZO7
Chemical Name:
3-(4-Nitrophenyl)benzonitrile
CAS Number:
1352318-54-7
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD20529496
IUPAC Name:
3-(4-nitrophenyl)benzonitrile
InChI:
InChI=1S/C13H8N2O2/c14-9-10-2-1-3-12(8-10)11-4-6-13(7-5-11)15(16)17/h1-8H
InChI Key:
PLVVAOSJIWCLTE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties