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102932-09-2 molecular structure
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2,4,6-tribromophenyl acetate

ChemBase ID: 112766
Molecular Formular: C8H5Br3O2
Molecular Mass: 372.8361
Monoisotopic Mass: 369.7839654
SMILES and InChIs

SMILES:
CC(=O)Oc1c(Br)cc(Br)cc1Br
Canonical SMILES:
CC(=O)Oc1c(Br)cc(cc1Br)Br
InChI:
InChI=1S/C8H5Br3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
InChIKey:
SLENHFBXWIEZCY-UHFFFAOYSA-N

Cite this record

CBID:112766 http://www.chembase.cn/molecule-112766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6-tribromophenyl acetate
IUPAC Traditional name
2,4,6-tribromophenyl acetate
Synonyms
2,4,6-TRIBROMOPHENYL ACETATE
2,4,6-Tribromo-phenol 1-Acetate
NSC 404079
CAS Number
102932-09-2
607-95-4
PubChem SID
162097957
PubChem CID
69094

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69094 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8867648  LogD (pH = 7.4) 3.8867648 
Log P 3.8867648  Molar Refractivity 60.0588 cm3
Polarizability 23.925165 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

MP Biomedicals MP Biomedicals
MP Biomedicals - 05225704 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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