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(Q82556166)
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English
1-(4-Bromo-2-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]propan-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
353.2504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₄BrFOS
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canonical SMILES
CSC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)Br)F
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Identifiers
InChI
InChI=1S/C16H14BrFOS/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(17)10-15(14)18/h2-3,5-8,10H,4,9H2,1H3
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InChIKey
BMNPDSPRFKGLTN-UHFFFAOYSA-N
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CAS Registry Number
898781-59-4
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PubChem CID
24725999
1 reference
matched by identifier from
InChIKey
InChIKey
BMNPDSPRFKGLTN-UHFFFAOYSA-N
UniChem compound ID
22801697
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50644392
1 reference
matched by identifier from
InChIKey
InChIKey
BMNPDSPRFKGLTN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00595143
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