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36914-79-1 molecular structure
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2,4-dibromophenyl acetate

ChemBase ID: 166990
Molecular Formular: C8H6Br2O2
Molecular Mass: 293.94004
Monoisotopic Mass: 291.87345343
SMILES and InChIs

SMILES:
c1(cc(c(cc1)OC(=O)C)Br)Br
Canonical SMILES:
CC(=O)Oc1ccc(cc1Br)Br
InChI:
InChI=1S/C8H6Br2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4H,1H3
InChIKey:
RXBCSBQMWRLETO-UHFFFAOYSA-N

Cite this record

CBID:166990 http://www.chembase.cn/molecule-166990.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromophenyl acetate
IUPAC Traditional name
2,4-dibromophenyl acetate
Synonyms
2,4-Dibromophenyl Acetate
2,4-Dibromo-phenol Acetate
2,4-Dibromophenol Acetate
CAS Number
36914-79-1
PubChem SID
162261123
PubChem CID
123456

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D425755 external link Add to cart
PubChem 123456 external link
Data Source Data ID Price
TRC
D425755 external link Add to cart Please log in.
Data Source Data ID
PubChem 123456 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 20.731846 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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