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89423-41-6 | Benzene, [(1,1-dichloroheptyl)thio]-
CAS No: 89423-41-6 Catalog No: AG0043OS MDL No:
Product Description
Catalog Number:
AG0043OS
Chemical Name:
Benzene, [(1,1-dichloroheptyl)thio]-
CAS Number:
89423-41-6
Molecular Formula:
C13H18Cl2S
Molecular Weight:
277.2530
IUPAC Name:
1,1-dichloroheptylsulfanylbenzene
InChI:
InChI=1S/C13H18Cl2S/c1-2-3-4-8-11-13(14,15)16-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI Key:
GUXRGNSIFUTISH-UHFFFAOYSA-N
SMILES:
CCCCCCC(Sc1ccccc1)(Cl)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.247g/mol
Monoisotopic Mass:
276.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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