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(Q82284628)
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English
ethyl 4-trifluoroprop-1-ynylbenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
242.055464188
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₉F₃O₂
0 references
canonical SMILES
CCOC(=O)C1=CC=C(C=C1)C#CC(F)(F)F
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Identifiers
InChI
InChI=1S/C12H9F3O2/c1-2-17-11(16)10-5-3-9(4-6-10)7-8-12(13,14)15/h3-6H,2H2,1H3
0 references
InChIKey
CBJSUSSAXSRUCX-UHFFFAOYSA-N
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CAS Registry Number
573979-96-1
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PubChem CID
11264994
1 reference
matched by identifier from
InChIKey
InChIKey
CBJSUSSAXSRUCX-UHFFFAOYSA-N
UniChem compound ID
32685053
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90460553
1 reference
matched by identifier from
InChIKey
InChIKey
CBJSUSSAXSRUCX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80411372
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