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89441-08-7 | Benzene, 2,4-dichloro-1-[(1-chloro-2-methyl-2-phenylpropyl)thio]-
CAS No: 89441-08-7 Catalog No: AG0044O6 MDL No:
Product Description
Catalog Number:
AG0044O6
Chemical Name:
Benzene, 2,4-dichloro-1-[(1-chloro-2-methyl-2-phenylpropyl)thio]-
CAS Number:
89441-08-7
Molecular Formula:
C16H15Cl3S
Molecular Weight:
345.7143
IUPAC Name:
2,4-dichloro-1-(1-chloro-2-methyl-2-phenylpropyl)sulfanylbenzene
InChI:
InChI=1S/C16H15Cl3S/c1-16(2,11-6-4-3-5-7-11)15(19)20-14-9-8-12(17)10-13(14)18/h3-10,15H,1-2H3
InChI Key:
KIZLXLZKCMZQGP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)SC(C(c1ccccc1)(C)C)Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.996g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.706g/mol
Monoisotopic Mass:
343.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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