Home > Compound List > Compound details
6725-45-7 molecular structure
click picture or here to close

ethyl 2-(3,4-dichlorophenyl)acetate

ChemBase ID: 77644
Molecular Formular: C10H10Cl2O2
Molecular Mass: 233.0912
Monoisotopic Mass: 232.00578492
SMILES and InChIs

SMILES:
Clc1c(ccc(c1)CC(=O)OCC)Cl
Canonical SMILES:
CCOC(=O)Cc1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C10H10Cl2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChIKey:
QAEBVJIVEPSFRK-UHFFFAOYSA-N

Cite this record

CBID:77644 http://www.chembase.cn/molecule-77644.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(3,4-dichlorophenyl)acetate
IUPAC Traditional name
ethyl 2-(3,4-dichlorophenyl)acetate
Synonyms
Ethyl 3,4-dichlorophenylacetate
3,4-Dichlorophenylacetic acid ethyl ester
Ethyl 3,4-dichlorophenylacetate
3,4-二氯苯基乙酸乙酯
CAS Number
6725-45-7
MDL Number
MFCD00833397
PubChem SID
162042516
PubChem CID
2737422

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737422 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 3.3217854  Molar Refractivity 56.4929 cm3
Polarizability 22.277925 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 3.3217854  LogD (pH = 7.4) 3.3217854 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
24-26°C expand Show data source
24-26°C expand Show data source
Storage Warning
Irritant expand Show data source
TSCA Listed
expand Show data source
Purity
97+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle