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99902-86-0 | 4-(3,4-DICHLOROPHENOXY)-1,3-BENZENEDICARBONITRILE
CAS No: 99902-86-0 Catalog No: AG003VM2 MDL No:
Product Description
Catalog Number:
AG003VM2
Chemical Name:
4-(3,4-DICHLOROPHENOXY)-1,3-BENZENEDICARBONITRILE
CAS Number:
99902-86-0
Molecular Formula:
C14H6Cl2N2O
Molecular Weight:
289.1162
IUPAC Name:
4-(3,4-dichlorophenoxy)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C14H6Cl2N2O/c15-12-3-2-11(6-13(12)16)19-14-4-1-9(7-17)5-10(14)8-18/h1-6H
InChI Key:
GJLPRDINGRNTBU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C#N)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.986g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.115g/mol
Monoisotopic Mass:
287.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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