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6575-24-2 molecular structure
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2,6-dichlorophenyl acetate

ChemBase ID: 180045
Molecular Formular: C8H6Cl2O2
Molecular Mass: 205.03804
Monoisotopic Mass: 203.97448479
SMILES and InChIs

SMILES:
C(=O)(C)Oc1c(cccc1Cl)Cl
Canonical SMILES:
CC(=O)Oc1c(Cl)cccc1Cl
InChI:
InChI=1S/C8H6Cl2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey:
YNSMUWSJRXDNLN-UHFFFAOYSA-N

Cite this record

CBID:180045 http://www.chembase.cn/molecule-180045.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichlorophenyl acetate
IUPAC Traditional name
2,6-dichlorophenyl acetate
Synonyms
2,6-Dichlorophenyl Acetic acid
CAS Number
6575-24-2
PubChem SID
164235955
PubChem CID
93120

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHB15531 external link Add to cart
PubChem 93120 external link
Data Source Data ID Price
Chemik
CHB15531 external link Add to cart Please log in.
Data Source Data ID
PubChem 93120 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7885962  LogD (pH = 7.4) 2.7885962 
Log P 2.7885962  Molar Refractivity 46.8 cm3
Polarizability 18.630022 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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