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Home > Nitro Compounds > 78940-72-4
78940-72-4 | BENZONITRILE, 2-(4-BENZOYLPHENOXY)-5-NITRO-
CAS No: 78940-72-4 Catalog No: AG005CUJ MDL No:
Product Description
Catalog Number:
AG005CUJ
Chemical Name:
BENZONITRILE, 2-(4-BENZOYLPHENOXY)-5-NITRO-
CAS Number:
78940-72-4
Molecular Formula:
C20H12N2O4
Molecular Weight:
344.3203
IUPAC Name:
2-(4-benzoylphenoxy)-5-nitrobenzonitrile
InChI:
InChI=1S/C20H12N2O4/c21-13-16-12-17(22(24)25)8-11-19(16)26-18-9-6-15(7-10-18)20(23)14-4-2-1-3-5-14/h1-12H
InChI Key:
UADJBVXFKQEJMG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccc(cc1)C(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.326g/mol
Monoisotopic Mass:
344.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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