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Home > Nitro Compounds > 99902-82-6
99902-82-6 | 2-(4-CYANOPHENOXY)-5-NITRO-BENZONITRILE
CAS No: 99902-82-6 Catalog No: AG003VZ2 MDL No:
Product Description
Catalog Number:
AG003VZ2
Chemical Name:
2-(4-CYANOPHENOXY)-5-NITRO-BENZONITRILE
CAS Number:
99902-82-6
Molecular Formula:
C14H7N3O3
Molecular Weight:
265.2237
IUPAC Name:
2-(4-cyanophenoxy)-5-nitrobenzonitrile
InChI:
InChI=1S/C14H7N3O3/c15-8-10-1-4-13(5-2-10)20-14-6-3-12(17(18)19)7-11(14)9-16/h1-7H
InChI Key:
GDEQYZSMFVWLKF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.228g/mol
Monoisotopic Mass:
265.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-CVB 3 evaluation of substituted 5-nitro-2-phenoxybenzonitriles. | Bioorganic & medicinal chemistry letters 20080915 |
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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