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(Q82201782)
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English
N-(4-bromo-2-methylphenyl)-3-oxobutanamide
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
269.005140724
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₂BrNO₂
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canonical SMILES
CC1=C(C=CC(=C1)Br)NC(=O)CC(=O)C
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Identifiers
InChI
InChI=1S/C11H12BrNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
0 references
InChIKey
LWJIFNULDBNYCR-UHFFFAOYSA-N
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CAS Registry Number
23939-48-2
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PubChem CID
4100579
1 reference
matched by identifier from
InChIKey
InChIKey
LWJIFNULDBNYCR-UHFFFAOYSA-N
UniChem compound ID
4404204
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70399312
1 reference
matched by identifier from
InChIKey
InChIKey
LWJIFNULDBNYCR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20350170
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