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13169-42-1 | Benzo[c]thiophene, 1,1,3,3-tetrachloro-1,3-dihydro-
CAS No: 13169-42-1 Catalog No: AG000ZL0 MDL No:
Product Description
Catalog Number:
AG000ZL0
Chemical Name:
Benzo[c]thiophene, 1,1,3,3-tetrachloro-1,3-dihydro-
CAS Number:
13169-42-1
Molecular Formula:
C8H4Cl4S
Molecular Weight:
273.9944
IUPAC Name:
1,1,3,3-tetrachloro-2-benzothiophene
InChI:
InChI=1S/C8H4Cl4S/c9-7(10)5-3-1-2-4-6(5)8(11,12)13-7/h1-4H
InChI Key:
WHFXPMCWVCLWLK-UHFFFAOYSA-N
SMILES:
ClC1(Cl)SC(c2c1cccc2)(Cl)Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.876g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.98g/mol
Monoisotopic Mass:
271.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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