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(Q82459777)
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English
1-(2-Methylbut-3-yn-2-yl)-4-(trifluoromethyl)benzene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
212.2114
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₁F₃
0 references
canonical SMILES
CC(C)(C#C)C1=CC=C(C=C1)C(F)(F)F
0 references
Identifiers
InChI
InChI=1S/C12H11F3/c1-4-11(2,3)9-5-7-10(8-6-9)12(13,14)15/h1,5-8H,2-3H3
0 references
InChIKey
RIQHUXFTOOCKCX-UHFFFAOYSA-N
0 references
CAS Registry Number
177096-58-1
0 references
PubChem CID
15332573
1 reference
matched by identifier from
InChIKey
InChIKey
RIQHUXFTOOCKCX-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL8585838
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RIQHUXFTOOCKCX-UHFFFAOYSA-N
UniChem compound ID
26935433
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40571623
1 reference
matched by identifier from
InChIKey
InChIKey
RIQHUXFTOOCKCX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20522395
0 references
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