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Chlorocyclohexane

CAT: 0572-TRC-C327225-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C327225-50GSize:50 g
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CAS Number
542-18-7
Synonyms
Monochlorocyclohexane; Cyclohexyl Chloride; NSC 8434
Hazard Statement
No Data Available
Smiles
ClC1CCCCC1
Molecular Formula
C6H11Cl
Molecular Weight
118.6
Shipping Conditions
Room Temperature

Chemical Information

Chlorocyclohexane

Monochlorocyclohexane is a chlorocyclohexane carrying a single chloro group.

CAS Number542-18-7
PubChem CID10952
IUPAC Namechlorocyclohexane
Molecular FormulaC6H11Cl
Molecular Weight118.60
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity46
SMILES
C1CCC(CC1)Cl
InChI
InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorocyclohexane
CAS: 542-18-7
CID: 10952
Formula: C6H11Cl
MW: 118.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.60
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass118.0549280
Monoisotopic Mass118.0549280
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity46.1
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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