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(Q82606418)
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English
Methyl 3-bromo-5-butoxybenzoate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
286.02045644000003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅BrO₃
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canonical SMILES
CCCCOC1=CC(=CC(=C1)C(=O)OC)Br
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Identifiers
InChI
InChI=1S/C12H15BrO3/c1-3-4-5-16-11-7-9(12(14)15-2)6-10(13)8-11/h6-8H,3-5H2,1-2H3
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InChIKey
IEFPUZFIOVQQRJ-UHFFFAOYSA-N
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CAS Registry Number
1261988-65-1
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PubChem CID
53217026
1 reference
matched by identifier from
InChIKey
InChIKey
IEFPUZFIOVQQRJ-UHFFFAOYSA-N
UniChem compound ID
12248922
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50682133
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DSSTOX compound identifier
DTXCID20632882
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