Home Nitriles 4-(3-nitrophenyl)benzonitrile

4-(3-nitrophenyl)benzonitrile

CAS No.:
39117-72-1
Catalog Number:
AG00BZFN
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00BZFN
Chemical Name:
4-(3-nitrophenyl)benzonitrile
CAS Number:
39117-72-1
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD06803023
IUPAC Name:
4-(3-nitrophenyl)benzonitrile
InChI:
InChI=1S/C13H8N2O2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)15(16)17/h1-8H
InChI Key:
DOBQZAZMSQVKJA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(c1)[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