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13275-22-4 | Hexane, 1,1,1,5-tetrachloro-3-methyl-
CAS No: 13275-22-4 Catalog No: AG001140 MDL No:
Product Description
Catalog Number:
AG001140
Chemical Name:
Hexane, 1,1,1,5-tetrachloro-3-methyl-
CAS Number:
13275-22-4
Molecular Formula:
C7H12Cl4
Molecular Weight:
237.9822
IUPAC Name:
1,1,1,5-tetrachloro-3-methylhexane
InChI:
InChI=1S/C7H12Cl4/c1-5(3-6(2)8)4-7(9,10)11/h5-6H,3-4H2,1-2H3
InChI Key:
SFPGZZPIIXICPT-UHFFFAOYSA-N
SMILES:
CC(CC(CC(Cl)(Cl)Cl)C)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:
237.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.973g/mol
Monoisotopic Mass:
235.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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