200,000+ products from a single source!
sales@angenechem.com
149949-86-0 | 1,1'-Biphenyl, 2,2',3,4',6-pentachloro-5-(methylsulfonyl)-
CAS No: 149949-86-0 Catalog No: AG001M60 MDL No:
Product Description
Catalog Number:
AG001M60
Chemical Name:
1,1'-Biphenyl, 2,2',3,4',6-pentachloro-5-(methylsulfonyl)-
CAS Number:
149949-86-0
Molecular Formula:
C13H7Cl5O2S
Molecular Weight:
404.5235
IUPAC Name:
1,2,4-trichloro-3-(2,4-dichlorophenyl)-5-methylsulfonylbenzene
InChI:
InChI=1S/C13H7Cl5O2S/c1-21(19,20)10-5-9(16)12(17)11(13(10)18)7-3-2-6(14)4-8(7)15/h2-5H,1H3
InChI Key:
PKWOFGBAESPSGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1c(Cl)c(Cl)cc(c1Cl)S(=O)(=O)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.858g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.507g/mol
Monoisotopic Mass:
401.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Chiral PCB methyl sulfones in rat tissues after exposure to technical PCBs. | Environmental science & technology 20020701 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.