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467235-25-2 molecular structure
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1-chloro-4-[(6-chlorohexyl)oxy]benzene

ChemBase ID: 164490
Molecular Formular: C12H16Cl2O
Molecular Mass: 247.16084
Monoisotopic Mass: 246.05782049
SMILES and InChIs

SMILES:
c1c(ccc(c1)OCCCCCCCl)Cl
Canonical SMILES:
ClCCCCCCOc1ccc(cc1)Cl
InChI:
InChI=1S/C12H16Cl2O/c13-9-3-1-2-4-10-15-12-7-5-11(14)6-8-12/h5-8H,1-4,9-10H2
InChIKey:
RIOKFDHMRBNFHC-UHFFFAOYSA-N

Cite this record

CBID:164490 http://www.chembase.cn/molecule-164490.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-4-[(6-chlorohexyl)oxy]benzene
IUPAC Traditional name
1-chloro-4-[(6-chlorohexyl)oxy]benzene
Synonyms
1-Chloro-4-[(6-chlorohexyl)oxy]benzene
6-(4-Chlorophenoxy)hexyl Chloride
6-(4-Chlorophenoxy) Hexylchloride
CAS Number
467235-25-2
PubChem SID
162258625
PubChem CID
4206944

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC C375020 external link Add to cart
PubChem 4206944 external link
Data Source Data ID Price
TRC
C375020 external link Add to cart Please log in.
Data Source Data ID
PubChem 4206944 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5505686  LogD (pH = 7.4) 4.5505686 
Log P 4.5505686  Molar Refractivity 65.3813 cm3
Polarizability 25.734138 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Brown Liquid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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