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52196-74-4 molecular structure
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2-chloro-1,4-diethoxybenzene

ChemBase ID: 106995
Molecular Formular: C10H13ClO2
Molecular Mass: 200.66202
Monoisotopic Mass: 200.06040734
SMILES and InChIs

SMILES:
CCOc1ccc(OCC)c(Cl)c1
Canonical SMILES:
CCOc1ccc(c(c1)Cl)OCC
InChI:
InChI=1S/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3
InChIKey:
ZIMKMIAIVORSSX-UHFFFAOYSA-N

Cite this record

CBID:106995 http://www.chembase.cn/molecule-106995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1,4-diethoxybenzene
IUPAC Traditional name
2-chloro-1,4-diethoxybenzene
Synonyms
6-CHLORO-1,4-DIETHOXYBENZENE
CAS Number
52196-74-4
PubChem SID
162092933
PubChem CID
40273

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202177 external link Add to cart Please log in.
Data Source Data ID
PubChem 40273 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9755638  LogD (pH = 7.4) 2.9755638 
Log P 2.9755638  Molar Refractivity 53.2864 cm3
Polarizability 20.940334 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 - 05202177 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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