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34006-60-5 molecular structure
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ethyl 2-chloro-2-ethoxyacetate

ChemBase ID: 75047
Molecular Formular: C6H11ClO3
Molecular Mass: 166.60274
Monoisotopic Mass: 166.03967189
SMILES and InChIs

SMILES:
O(CC)C(C(=O)OCC)Cl
Canonical SMILES:
CCOC(=O)C(OCC)Cl
InChI:
InChI=1S/C6H11ClO3/c1-3-9-5(7)6(8)10-4-2/h5H,3-4H2,1-2H3
InChIKey:
CCAITLKAFIMPIT-UHFFFAOYSA-N

Cite this record

CBID:75047 http://www.chembase.cn/molecule-75047.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-chloro-2-ethoxyacetate
IUPAC Traditional name
ethyl 2-chloro-2-ethoxyacetate
Synonyms
Ethyl chloro(ethoxy)acetate
CAS Number
34006-60-5
MDL Number
MFCD00043953
PubChem SID
162039965
PubChem CID
2724873

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2724873 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.367061  LogD (pH = 7.4) 1.367061 
Log P 1.367061  Molar Refractivity 38.0994 cm3
Polarizability 15.198746 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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