Home Nitriles 4-(4-Nitrophenoxy)benzonitrile

4-(4-Nitrophenoxy)benzonitrile

CAS No.:
17076-68-5
Catalog Number:
AG00AKZY
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00AKZY
Chemical Name:
4-(4-Nitrophenoxy)benzonitrile
CAS Number:
17076-68-5
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD00443712
IUPAC Name:
4-(4-nitrophenoxy)benzonitrile
InChI:
InChI=1S/C13H8N2O3/c14-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)15(16)17/h1-8H
InChI Key:
YUNRKJHCHMIMLS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties