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1,8-Dichlorooctane

CAT: 0024-sc-223122Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-223122Size:25 g
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CAS Number
2162-99-4

Chemical Information

1,8-Dichlorooctane
CAS Number2162-99-4
PubChem CID75102
IUPAC Name1,8-dichlorooctane
Molecular FormulaC8H16Cl2
Molecular Weight183.12
XLogP3.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity47
SMILES
C(CCCCCl)CCCCl
InChI
InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey
WXYMNDFVLNUAIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,8-Dichlorooctane
CAS: 2162-99-4
CID: 75102
Formula: C8H16Cl2
MW: 183.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.12
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass182.0629059
Monoisotopic Mass182.0629059
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity47.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1028898-011,8-Dichlorooctane
D162651 8-Dichlorooctane
PC1274Perfluoro-1,8-dichlorooctane
B2730931-Bromooctane-8,8,8-d3
AQ A2 0033-011,8-diphenyloctane-1,8-dione
JH9174811--8-
HY-N27778-Hydroxyhyperforin 8,1-hemiacetal
P-802Connector Barbed 1/8 x 1/8
CHR1835Kinesis Ferrule 1/8 Graphite 1/8
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