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(Q82408393)
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English
Methyl 5-bromo-2-(cyanomethoxy)benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
268.968755216
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₈BrNO₃
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canonical SMILES
COC(=O)C1=C(C=CC(=C1)Br)OCC#N
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Identifiers
InChI
InChI=1S/C10H8BrNO3/c1-14-10(13)8-6-7(11)2-3-9(8)15-5-4-12/h2-3,6H,5H2,1H3
0 references
InChIKey
JLMVDIRMNVCHRK-UHFFFAOYSA-N
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CAS Registry Number
58430-20-9
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PubChem CID
13282135
1 reference
matched by identifier from
InChIKey
InChIKey
JLMVDIRMNVCHRK-UHFFFAOYSA-N
UniChem compound ID
26292406
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20534514
1 reference
matched by identifier from
InChIKey
InChIKey
JLMVDIRMNVCHRK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50485303
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