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78940-64-4 | 2-(4-BROMOPHENOXY)-5-NITROBENZONITRILE
CAS No: 78940-64-4 Catalog No: AG0054KC MDL No:
Product Description
Catalog Number:
AG0054KC
Chemical Name:
2-(4-BROMOPHENOXY)-5-NITROBENZONITRILE
CAS Number:
78940-64-4
Molecular Formula:
C13H7BrN2O3
Molecular Weight:
319.1103
IUPAC Name:
2-(4-bromophenoxy)-5-nitrobenzonitrile
InChI:
InChI=1S/C13H7BrN2O3/c14-10-1-4-12(5-2-10)19-13-6-3-11(16(17)18)7-9(13)8-15/h1-7H
InChI Key:
XXYYTKATSBRQRD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccc(cc1)Br)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.964g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.114g/mol
Monoisotopic Mass:
317.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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