2,4,6-Tribromo-7-oxocyclohepta-1,3,5-trien-1-yl acetate (Q82415496)

chemical compound

Language	Label	Description	Also known as
English	2,4,6-Tribromo-7-oxocyclohepta-1,3,5-trien-1-yl acetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

397.77888032000004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₅Br₃O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)Oc1c(Br)cc(Br)cc(Br)c1=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C9H5Br3O3/c1-4(13)15-9-7(12)3-5(10)2-6(11)8(9)14/h2-3H,1H3

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InChIKey

GDBJCLICJLTQTD-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

GDBJCLICJLTQTD-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

GDBJCLICJLTQTD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID80490485

0 references

2,4,6-Tribromo-7-oxocyclohepta-1,3,5-trien-1-yl acetate (Q82415496)

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2,4,6-Tribromo-7-oxocyclohepta-1,3,5-trien-1-yl acetate (Q82415496)

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