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2-Amino-3-(trifluoromethoxy)benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
221.029977712
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₆F₃NO₃
0 references
canonical SMILES
C1=CC(=C(C(=C1)OC(F)(F)F)N)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C8H6F3NO3/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)
0 references
InChIKey
BQPQFVVEWXYRMH-UHFFFAOYSA-N
0 references
CAS Registry Number
561304-41-4
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=561304-41-4
InChIKey
BQPQFVVEWXYRMH-UHFFFAOYSA-N
PubChem CID
11746172
1 reference
matched by identifier from
InChIKey
InChIKey
BQPQFVVEWXYRMH-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL161228
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BQPQFVVEWXYRMH-UHFFFAOYSA-N
UniChem compound ID
23967050
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70471743
1 reference
matched by identifier from
InChIKey
InChIKey
BQPQFVVEWXYRMH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30422559
0 references
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