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35368-68-4 molecular structure
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2-(2-chlorophenoxy)acetamide

ChemBase ID: 296034
Molecular Formular: C8H8ClNO2
Molecular Mass: 185.60762
Monoisotopic Mass: 185.02435618
SMILES and InChIs

SMILES:
c1ccc(c(c1)OCC(=O)N)Cl
Canonical SMILES:
NC(=O)COc1ccccc1Cl
InChI:
InChI=1S/C8H8ClNO2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey:
VFUNLXYSSCTXBG-UHFFFAOYSA-N

Cite this record

CBID:296034 http://www.chembase.cn/molecule-296034.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-chlorophenoxy)acetamide
IUPAC Traditional name
2-(2-chlorophenoxy)acetamide
Synonyms
2-(2-Chlorophenoxy)acetamide
2-(2-氯苯氧基)乙酰氨
CAS Number
35368-68-4
EC Number
252-530-9
MDL Number
MFCD00173819
PubChem SID
180681565
PubChem CID
97329

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 97329 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.357133  H Acceptors
H Donor LogD (pH = 5.5) 1.09066 
LogD (pH = 7.4) 1.09066  Log P 1.09066 
Molar Refractivity 45.2328 cm3 Polarizability 17.829525 Å3
Polar Surface Area 52.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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