Home Nitriles 4-(3-nitrophenoxy)benzonitrile

4-(3-nitrophenoxy)benzonitrile

CAS No.:
55368-17-7
Catalog Number:
AG019YZ9
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
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Product Description
Catalog Number:
AG019YZ9
Chemical Name:
4-(3-nitrophenoxy)benzonitrile
CAS Number:
55368-17-7
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD13208445
IUPAC Name:
4-(3-nitrophenoxy)benzonitrile
InChI:
InChI=1S/C13H8N2O3/c14-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)15(16)17/h1-8H
InChI Key:
JAFQJTOXYUBTIE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
336  
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