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40926-73-6 molecular structure
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2-(2-methoxyphenoxy)acetyl chloride

ChemBase ID: 12674
Molecular Formular: C9H9ClO3
Molecular Mass: 200.61896
Monoisotopic Mass: 200.02402183
SMILES and InChIs

SMILES:
c1ccc(c(c1)OCC(=O)Cl)OC
Canonical SMILES:
COc1ccccc1OCC(=O)Cl
InChI:
InChI=1S/C9H9ClO3/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3
InChIKey:
VWVRTVRGLRSWEQ-UHFFFAOYSA-N

Cite this record

CBID:12674 http://www.chembase.cn/molecule-12674.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxyphenoxy)acetyl chloride
IUPAC Traditional name
2-(2-methoxyphenoxy)acetyl chloride
Synonyms
(2-methoxyphenoxy)acetyl chloride
(2-Methoxy-phenoxy)-acetyl chloride
CAS Number
40926-73-6
MDL Number
MFCD02223230
PubChem SID
160975981
PubChem CID
3126948

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3126948 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6692163  LogD (pH = 7.4) 1.6692163 
Log P 1.6692163  Molar Refractivity 48.9275 cm3
Polarizability 19.197481 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
1.97274 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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