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69797-50-8 | 2,2',5,5'-tetrachloro-4,4'-bis(methylsulfanyl)biphenyl
CAS No: 69797-50-8 Catalog No: AG005HOK MDL No:
Product Description
Catalog Number:
AG005HOK
Chemical Name:
2,2',5,5'-tetrachloro-4,4'-bis(methylsulfanyl)biphenyl
CAS Number:
69797-50-8
Molecular Formula:
C14H10Cl4S2
Molecular Weight:
384.1712
IUPAC Name:
1,4-dichloro-2-(2,5-dichloro-4-methylsulfanylphenyl)-5-methylsulfanylbenzene
InChI:
InChI=1S/C14H10Cl4S2/c1-19-13-5-9(15)7(3-11(13)17)8-4-12(18)14(20-2)6-10(8)16/h3-6H,1-2H3
InChI Key:
KPRZMSJEFRUIPB-UHFFFAOYSA-N
SMILES:
CSc1cc(Cl)c(cc1Cl)c1cc(Cl)c(cc1Cl)SC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.895g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.154g/mol
Monoisotopic Mass:
381.898g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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