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Home > Nitro Compounds > 99902-81-5
99902-81-5 | 2-(4-METHYLPHENOXY)-5-NITRO-BENZONITRILE
CAS No: 99902-81-5 Catalog No: AG003VM4 MDL No:
Product Description
Catalog Number:
AG003VM4
Chemical Name:
2-(4-METHYLPHENOXY)-5-NITRO-BENZONITRILE
CAS Number:
99902-81-5
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
2-(4-methylphenoxy)-5-nitrobenzonitrile
InChI:
InChI=1S/C14H10N2O3/c1-10-2-5-13(6-3-10)19-14-7-4-12(16(17)18)8-11(14)9-15/h2-8H,1H3
InChI Key:
FCKMQMJMGBFAIA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccc(cc1)C)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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