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(Q83123069)
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English
1-(2-Bromoethyl)-2-(trifluoromethyl)benzene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
251.976147016
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₈BrF₃
0 references
canonical SMILES
C1=CC=C(C(=C1)CCBr)C(F)(F)F
0 references
Identifiers
InChI
InChI=1S/C9H8BrF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2
0 references
InChIKey
QECZMYGJNDGESU-UHFFFAOYSA-N
0 references
CAS Registry Number
94022-95-4
1 reference
InChIKey
QECZMYGJNDGESU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=94022-95-4
PubChem CID
3023321
1 reference
matched by identifier from
InChIKey
InChIKey
QECZMYGJNDGESU-UHFFFAOYSA-N
UniChem compound ID
7650389
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40240286
1 reference
matched by identifier from
InChIKey
InChIKey
QECZMYGJNDGESU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40162777
0 references
UNII
H42AYQ2XFZ
1 reference
matched by identifier from
InChIKey
InChIKey
QECZMYGJNDGESU-UHFFFAOYSA-N
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