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(Q82148475)
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English
3-bromo-5-methoxy-4-propoxybenzonitrile
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
270.1224
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂BrNO₂
0 references
canonical SMILES
CCCOC1=C(C=C(C=C1Br)C#N)OC
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Identifiers
InChI
InChI=1S/C11H12BrNO2/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-6H,3-4H2,1-2H3
0 references
InChIKey
PLJGWERCISNRNX-UHFFFAOYSA-N
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CAS Registry Number
515848-04-1
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PubChem CID
1580095
1 reference
matched by identifier from
InChIKey
InChIKey
PLJGWERCISNRNX-UHFFFAOYSA-N
UniChem compound ID
14428034
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70364489
1 reference
matched by identifier from
InChIKey
InChIKey
PLJGWERCISNRNX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50315535
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