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Molecule
ID:111752
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₀Cl₂
Molecular Mass
153.0496
Exact Mass
152.01595568
Charge
0
InChI
InChI=1S/C6H10Cl2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2
InChIKey
WQTINZDWAXJLGH-UHFFFAOYSA-N
Canonic Smiles
ClC1CCC(CC1)Cl
Isomeric Smiles
ClC1CCC(Cl)CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6031587
LogD (pH = 7.4)
2.6031587
Log P
2.6031587
Molar Refractivity
37.047
Polarizability
14.734138
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Academic Data
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IUPAC name
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Synonyms
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IUPAC Traditional name
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CAS Number
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PubChem CID
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PubChem SID
Properties
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05220767
Academic Data
PubChem
519304
Names and Identifiers
IUPAC name
1,4-dichlorocyclohexane
Synonyms
1,4-DICHLOROCYCLOHEXANE
IUPAC Traditional name
1,4-dichlorocyclohexane
Registration numbers
CAS Number
16890-91-8
PubChem CID
519304
PubChem SID
162096847
Properties
Safety Information
MSDS Link
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Source
Product Information
Certificate of Analysis
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Source
Molecule Details
MP Biomedicals
05220767
MP Biomedicals Rare Chemical collection
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay