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28165-72-2 molecular structure
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2,6-dibromophenyl acetate

ChemBase ID: 166989
Molecular Formular: C8H6Br2O2
Molecular Mass: 293.94004
Monoisotopic Mass: 291.87345343
SMILES and InChIs

SMILES:
c1ccc(c(c1Br)OC(=O)C)Br
Canonical SMILES:
CC(=O)Oc1c(Br)cccc1Br
InChI:
InChI=1S/C8H6Br2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey:
PMNMDWCAAWUBOG-UHFFFAOYSA-N

Cite this record

CBID:166989 http://www.chembase.cn/molecule-166989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dibromophenyl acetate
IUPAC Traditional name
2,6-dibromophenyl acetate
Synonyms
2,6-Dibromophenyl Acetate
2,6-Dibromo-phenol 1-Acetate
2,6-Dibromophenol Acetate
CAS Number
28165-72-2
PubChem SID
162261122
PubChem CID
123427

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D425750 external link Add to cart
PubChem 123427 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 123427 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.118012  LogD (pH = 7.4) 3.118012 
Log P 3.118012  Molar Refractivity 52.436 cm3
Polarizability 20.738583 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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