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16844-39-6 | Cyclooctane, 1-chloro-4-(trichloromethyl)-
CAS No: 16844-39-6 Catalog No: AG001Y2W MDL No:
Product Description
Catalog Number:
AG001Y2W
Chemical Name:
Cyclooctane, 1-chloro-4-(trichloromethyl)-
CAS Number:
16844-39-6
Molecular Formula:
C9H14Cl4
Molecular Weight:
264.0195
IUPAC Name:
1-chloro-4-(trichloromethyl)cyclooctane
InChI:
InChI=1S/C9H14Cl4/c10-8-4-2-1-3-7(5-6-8)9(11,12)13/h7-8H,1-6H2
InChI Key:
IASNRDZDJMWPIR-UHFFFAOYSA-N
SMILES:
ClC1CCCCC(CC1)C(Cl)(Cl)Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.982g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.011g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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