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85330-94-5 | Pyridine,2-(3,4-dichlorophenoxy)-5-(methylthio)-
CAS No: 85330-94-5 Catalog No: AG004LAI MDL No:
Product Description
Catalog Number:
AG004LAI
Chemical Name:
Pyridine,2-(3,4-dichlorophenoxy)-5-(methylthio)-
CAS Number:
85330-94-5
Molecular Formula:
C12H9Cl2NOS
Molecular Weight:
286.1770
IUPAC Name:
2-(3,4-dichlorophenoxy)-5-methylsulfanylpyridine
InChI:
InChI=1S/C12H9Cl2NOS/c1-17-9-3-5-12(15-7-9)16-8-2-4-10(13)11(14)6-8/h2-7H,1H3
InChI Key:
WZVMWAUGHRPLTI-UHFFFAOYSA-N
SMILES:
CSc1ccc(nc1)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.978g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.17g/mol
Monoisotopic Mass:
284.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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