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99902-98-4 | 6-(3,4-DICHLOROPHENOXY)-3-PYRIDINESULFONIC ACID
CAS No: 99902-98-4 Catalog No: AG003VJ8 MDL No:
Product Description
Catalog Number:
AG003VJ8
Chemical Name:
6-(3,4-DICHLOROPHENOXY)-3-PYRIDINESULFONIC ACID
CAS Number:
99902-98-4
Molecular Formula:
C11H7Cl2NO4S
Molecular Weight:
320.1486
IUPAC Name:
6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid
InChI:
InChI=1S/C11H7Cl2NO4S/c12-9-3-1-7(5-10(9)13)18-11-4-2-8(6-14-11)19(15,16)17/h1-6H,(H,15,16,17)
InChI Key:
LZMFWYIRBNUPOE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)Oc1ccc(cn1)S(=O)(=O)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.947g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.14g/mol
Monoisotopic Mass:
318.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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