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(Q82597296)
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English
[2-Methyl-5-(trifluoromethanesulfonyl)phenyl]boronic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
268.0194
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₈BF₃O₄S
0 references
canonical SMILES
B(C1=C(C=CC(=C1)S(=O)(=O)C(F)(F)F)C)(O)O
0 references
Identifiers
InChI
InChI=1S/C8H8BF3O4S/c1-5-2-3-6(4-7(5)9(13)14)17(15,16)8(10,11)12/h2-4,13-14H,1H3
0 references
InChIKey
ZYVAJJOEQOUMOF-UHFFFAOYSA-N
0 references
CAS Registry Number
1150114-49-0
1 reference
InChIKey
ZYVAJJOEQOUMOF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1150114-49-0
PubChem CID
46739491
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZYVAJJOEQOUMOF-UHFFFAOYSA-N
UniChem compound ID
23169130
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40675094
1 reference
matched by identifier from
InChIKey
InChIKey
ZYVAJJOEQOUMOF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50625843
0 references
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