1,6-Dichlorohexane

CAT: 0127-OR10107-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR10107-01Size:500 g

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CAS Number

2163-00-0

MDL Number

MFCD00001020

Purity

98%

Smiles

ClCCCCCCCl

Chemical Information

1,6-Dichlorohexane

1,6-dichlorohexane is a colorless liquid. (USCG, 1999)

CAS Number	2163-00-0
PubChem CID	16551
IUPAC Name	1,6-dichlorohexane
Molecular Formula	C6H12Cl2
Molecular Weight	155.06
XLogP	2.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Heavy Atom Count	8
Formal Charge	0
Complexity	31

SMILES

C(CCCCl)CCCl

InChI

InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey

OVISMSJCKCDOPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2163-00-0

CID: 16551

Formula: C6H12Cl2

MW: 155.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.06
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	154.0316058
Monoisotopic Mass	154.0316058
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	31.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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