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Home > Nitro Compounds > 99902-79-1
99902-79-1 | 2-(4-METHOXYPHENOXY)-5-NITRO-BENZONITRILE
CAS No: 99902-79-1 Catalog No: AG003VM5 MDL No:
Product Description
Catalog Number:
AG003VM5
Chemical Name:
2-(4-METHOXYPHENOXY)-5-NITRO-BENZONITRILE
CAS Number:
99902-79-1
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
IUPAC Name:
2-(4-methoxyphenoxy)-5-nitrobenzonitrile
InChI:
InChI=1S/C14H10N2O4/c1-19-12-3-5-13(6-4-12)20-14-7-2-11(16(17)18)8-10(14)9-15/h2-8H,1H3
InChI Key:
HNBGIGBUYIOXGC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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