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83818-59-1 | Benzene, [(1,1-dichlorooctyl)thio]-
CAS No: 83818-59-1 Catalog No: AG004W13 MDL No:
Product Description
Catalog Number:
AG004W13
Chemical Name:
Benzene, [(1,1-dichlorooctyl)thio]-
CAS Number:
83818-59-1
Molecular Formula:
C14H20Cl2S
Molecular Weight:
291.2796
IUPAC Name:
1,1-dichlorooctylsulfanylbenzene
InChI:
InChI=1S/C14H20Cl2S/c1-2-3-4-5-9-12-14(15,16)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChI Key:
MPWWRRCCCXLEMT-UHFFFAOYSA-N
SMILES:
CCCCCCCC(Sc1ccccc1)(Cl)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.274g/mol
Monoisotopic Mass:
290.066g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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