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83642-21-1 | 1-CHLORO-4-[4-(METHYLSULFONYL)PHENOXY]-BENZENE
CAS No: 83642-21-1 Catalog No: AG004YV5 MDL No:
Product Description
Catalog Number:
AG004YV5
Chemical Name:
1-CHLORO-4-[4-(METHYLSULFONYL)PHENOXY]-BENZENE
CAS Number:
83642-21-1
Molecular Formula:
C13H11ClO3S
Molecular Weight:
282.7426
IUPAC Name:
1-(4-chlorophenoxy)-4-methylsulfonylbenzene
InChI:
InChI=1S/C13H11ClO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,1H3
InChI Key:
VVLHURRVXVQCTO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.738g/mol
Monoisotopic Mass:
282.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines. | Journal of medicinal chemistry 19860301 |
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