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Trans-1,4-Dichlorocyclohexane

CAT: 0127-OR1077585Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1077585Size:5 g
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CAS Number
16890-91-8
MDL Number
MFCD00070474
Purity
>99.0%
Smiles
C1CC (CCC1Cl) Cl

Chemical Information

1,4-dichloro-Cyclohexane
CAS Number16890-91-8
PubChem CID519304
IUPAC Name1,4-dichlorocyclohexane
Molecular FormulaC6H10Cl2
Molecular Weight153.05
XLogP2.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity54
SMILES
C1CC(CCC1Cl)Cl
InChI
InChI=1S/C6H10Cl2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2
InChIKey
WQTINZDWAXJLGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-dichloro-Cyclohexane
CAS: 16890-91-8
CID: 519304
Formula: C6H10Cl2
MW: 153.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.05
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass152.0159557
Monoisotopic Mass152.0159557
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
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