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139272-67-6 molecular structure
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2-ethoxy-2-oxoethyl 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate

ChemBase ID: 158833
Molecular Formular: C18H17Cl2NO4
Molecular Mass: 382.23788
Monoisotopic Mass: 381.05346339
SMILES and InChIs

SMILES:
c1ccc(c(c1Cl)Nc1ccccc1CC(=O)OCC(=O)OCC)Cl
Canonical SMILES:
CCOC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChI:
InChI=1S/C18H17Cl2NO4/c1-2-24-17(23)11-25-16(22)10-12-6-3-4-9-15(12)21-18-13(19)7-5-8-14(18)20/h3-9,21H,2,10-11H2,1H3
InChIKey:
JDOYJDOPEHMRPB-UHFFFAOYSA-N

Cite this record

CBID:158833 http://www.chembase.cn/molecule-158833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethoxy-2-oxoethyl 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate
IUPAC Traditional name
2-ethoxy-2-oxoethyl 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate
Synonyms
2-[(2,6-Dichlorophenyl)amino]benzeneacetic Acid 2-Ethoxy-2-oxoethyl Ester
Aceclofenac Ethyl Ester
CAS Number
139272-67-6
PubChem SID
162252968
PubChem CID
46783544

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A130415 external link Add to cart
PubChem 46783544 external link
Data Source Data ID Price
TRC
A130415 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783544 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.40179  H Acceptors
H Donor LogD (pH = 5.5) 4.3855886 
LogD (pH = 7.4) 4.3855886  Log P 4.3855886 
Molar Refractivity 95.8328 cm3 Polarizability 37.450882 Å3
Polar Surface Area 64.63 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
White Solid expand Show data source
Melting Point
70-72°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A130415 external link
A 2-[(2,6-dichlorophenyl)amino]phenylacetoxyacetyl derivative as anti-inflammmatory and analgesic agent.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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