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(2-Chloroethyl) cyclohexane

CAT: 0127-OR111352-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR111352-01Size:1 g
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CAS Number
1073-61-6
MDL Number
MFCD11646261
Purity
=95%
Smiles
ClCCC1CCCCC1

Chemical Information

(2-Chloroethyl)cyclohexane
CAS Number1073-61-6
PubChem CID13510170
IUPAC Name2-chloroethylcyclohexane
Molecular FormulaC8H15Cl
Molecular Weight146.66
XLogP3.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
C1CCC(CC1)CCCl
InChI
InChI=1S/C8H15Cl/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
TYRMEBINDCQOHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Chloroethyl)cyclohexane
CAS: 1073-61-6
CID: 13510170
Formula: C8H15Cl
MW: 146.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.66
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass146.0862282
Monoisotopic Mass146.0862282
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity65
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
BAA07361-01(2-Chloroethyl) cyclohexane
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