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85331-25-5 | PYRIDINE, 2-(3,4-DICHLOROPHENOXY)-3-(METHYLSULFONYL)-
CAS No: 85331-25-5 Catalog No: AG004P82 MDL No:
Product Description
Catalog Number:
AG004P82
Chemical Name:
PYRIDINE, 2-(3,4-DICHLOROPHENOXY)-3-(METHYLSULFONYL)-
CAS Number:
85331-25-5
Molecular Formula:
C12H9Cl2NO3S
Molecular Weight:
318.1758
IUPAC Name:
2-(3,4-dichlorophenoxy)-3-methylsulfonylpyridine
InChI:
InChI=1S/C12H9Cl2NO3S/c1-19(16,17)11-3-2-6-15-12(11)18-8-4-5-9(13)10(14)7-8/h2-7H,1H3
InChI Key:
DGDSAHAIUIVAPS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)Oc1ncccc1S(=O)(=O)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.968g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.168g/mol
Monoisotopic Mass:
316.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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