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82044-22-2 | 1-(benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene
CAS No: 82044-22-2 Catalog No: AG004XIP MDL No:
Product Description
Catalog Number:
AG004XIP
Chemical Name:
1-(benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene
CAS Number:
82044-22-2
Molecular Formula:
C13H7Cl5S
Molecular Weight:
372.5247
IUPAC Name:
1-benzylsulfanyl-2,3,4,5,6-pentachlorobenzene
InChI:
InChI=1S/C13H7Cl5S/c14-8-9(15)11(17)13(12(18)10(8)16)19-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
KYUMKYGLPMWORT-UHFFFAOYSA-N
SMILES:
Clc1c(SCc2ccccc2)c(Cl)c(c(c1Cl)Cl)Cl
NSC Number:
56558
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.868g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.509g/mol
Monoisotopic Mass:
369.871g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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