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99902-89-3 | 5-CHLORO-2-(3,4-DICHLOROPHENOXY)BENZONITRILE
CAS No: 99902-89-3 Catalog No: AG003VJA MDL No:MFCD19495557
Product Description
Catalog Number:
AG003VJA
Chemical Name:
5-CHLORO-2-(3,4-DICHLOROPHENOXY)BENZONITRILE
CAS Number:
99902-89-3
Molecular Formula:
C13H6Cl3NO
Molecular Weight:
298.5518
MDL Number:
MFCD19495557
IUPAC Name:
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
InChI:
InChI=1S/C13H6Cl3NO/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6H
InChI Key:
XIJAMFINYREQMF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.951g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.547g/mol
Monoisotopic Mass:
296.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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