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(Q82110573)
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English
2,4,6-Tribromophenyl hexanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
428.9415
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₃Br₃O₂
0 references
canonical SMILES
CCCCCC(=O)OC1=C(C=C(C=C1Br)Br)Br
0 references
Identifiers
InChI
InChI=1S/C12H13Br3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
0 references
InChIKey
WKADNUIXFNFRSW-UHFFFAOYSA-N
0 references
CAS Registry Number
16732-09-5
0 references
PubChem CID
567165
1 reference
matched by identifier from
InChIKey
InChIKey
WKADNUIXFNFRSW-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL4021940
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WKADNUIXFNFRSW-UHFFFAOYSA-N
UniChem compound ID
23415041
1 reference
stated in
UniChem
NMRShiftDB structure ID
20199046
1 reference
matched by identifier from
InChIKey
InChIKey
WKADNUIXFNFRSW-UHFFFAOYSA-N
DSSTox substance ID
DTXSID10340762
1 reference
matched by identifier from
InChIKey
InChIKey
WKADNUIXFNFRSW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30291843
0 references
Probes And Drugs ID
PD063637
0 references
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