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18088-13-6 | Octane, 1,1,1,3-tetrachloro-
CAS No: 18088-13-6 Catalog No: AG0022FF MDL No:
Product Description
Catalog Number:
AG0022FF
Chemical Name:
Octane, 1,1,1,3-tetrachloro-
CAS Number:
18088-13-6
Molecular Formula:
C8H14Cl4
Molecular Weight:
252.0088
IUPAC Name:
1,1,1,3-tetrachlorooctane
InChI:
InChI=1S/C8H14Cl4/c1-2-3-4-5-7(9)6-8(10,11)12/h7H,2-6H2,1H3
InChI Key:
LQGHONGVQHTQDU-UHFFFAOYSA-N
SMILES:
CCCCCC(CC(Cl)(Cl)Cl)Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252g/mol
Monoisotopic Mass:
249.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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