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(Q82170280)
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English
ethyl 5-(5-bromo-2-thienyl)-3-isoxazolecarboxylate
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
300.940826216
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₈BrNO₃S
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canonical SMILES
CCOC(=O)C1=NOC(=C1)C2=CC=C(S2)Br
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Identifiers
InChI
InChI=1S/C10H8BrNO3S/c1-2-14-10(13)6-5-7(15-12-6)8-3-4-9(11)16-8/h3-5H,2H2,1H3
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InChIKey
OIZZMDOBYXRSNQ-UHFFFAOYSA-N
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CAS Registry Number
423768-50-7
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PubChem CID
2776548
1 reference
matched by identifier from
InChIKey
InChIKey
OIZZMDOBYXRSNQ-UHFFFAOYSA-N
UniChem compound ID
13447115
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40380176
1 reference
matched by identifier from
InChIKey
InChIKey
OIZZMDOBYXRSNQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20331202
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