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(Q82195389)
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English
methyl 4-(3-bromopropoxy)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
273.1231
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₃BrO₃
0 references
canonical SMILES
COC(=O)C1=CC=C(C=C1)OCCCBr
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Identifiers
InChI
InChI=1S/C11H13BrO3/c1-14-11(13)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3
0 references
InChIKey
UXQAWAAALKEOIM-UHFFFAOYSA-N
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CAS Registry Number
135998-88-8
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PubChem CID
3709742
1 reference
matched by identifier from
InChIKey
InChIKey
UXQAWAAALKEOIM-UHFFFAOYSA-N
UniChem compound ID
12078772
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60395348
1 reference
matched by identifier from
InChIKey
InChIKey
UXQAWAAALKEOIM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90346207
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