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95-59-0 molecular structure
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2,3-dichloro-1,4-dioxane

ChemBase ID: 108632
Molecular Formular: C4H6Cl2O2
Molecular Mass: 156.99524
Monoisotopic Mass: 155.97448479
SMILES and InChIs

SMILES:
ClC1OCCOC1Cl
Canonical SMILES:
ClC1OCCOC1Cl
InChI:
InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2
InChIKey:
ZOZUXFQYIYUIND-UHFFFAOYSA-N

Cite this record

CBID:108632 http://www.chembase.cn/molecule-108632.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-1,4-dioxane
IUPAC Traditional name
1,4-dioxane, 2,3-dichloro-
Synonyms
2,3-DICHLORO-p-DIOXANE
CAS Number
95-59-0
PubChem SID
162095670
PubChem CID
7246

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05208133 external link Add to cart Please log in.
Data Source Data ID
PubChem 7246 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5651171  LogD (pH = 7.4) 1.5651171 
Log P 1.5651171  Molar Refractivity 31.221998 cm3
Polarizability 12.661867 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05208133 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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