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865306-19-0 | Octane,1,2,7,8-tetrachloro-
CAS No: 865306-19-0 Catalog No: AG004PSI MDL No:
Product Description
Catalog Number:
AG004PSI
Chemical Name:
Octane,1,2,7,8-tetrachloro-
CAS Number:
865306-19-0
Molecular Formula:
C8H14Cl4
Molecular Weight:
252.0088
IUPAC Name:
1,2,7,8-tetrachlorooctane
InChI:
InChI=1S/C8H14Cl4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-8H,1-6H2
InChI Key:
HSMSIETXIWFBCT-UHFFFAOYSA-N
SMILES:
ClCC(CCCCC(CCl)Cl)Cl
Properties
Complexity:
85.1
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:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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