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(Q82654249)
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English
1-(4-Bromo-2-fluorophenyl)pentan-1-one
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
259.1147
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂BrFO
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canonical SMILES
CCCCC(=O)C1=C(C=C(C=C1)Br)F
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Identifiers
InChI
InChI=1S/C11H12BrFO/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h5-7H,2-4H2,1H3
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InChIKey
WCMNQUAKMCMKJJ-UHFFFAOYSA-N
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CAS Registry Number
1311197-91-7
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PubChem CID
54759059
1 reference
matched by identifier from
InChIKey
InChIKey
WCMNQUAKMCMKJJ-UHFFFAOYSA-N
UniChem compound ID
24020540
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50716664
1 reference
matched by identifier from
InChIKey
InChIKey
WCMNQUAKMCMKJJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00667410
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