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(Q72451734)
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English
2-Bromo-6-benzothiazolecarboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
258.0928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₄BrNO₂S
0 references
canonical SMILES
C1=CC2=C(C=C1C(=O)O)SC(=N2)Br
0 references
Identifiers
InChI
InChI=1S/C8H4BrNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)
0 references
InChIKey
ICKXPLAJDFRFME-UHFFFAOYSA-N
0 references
CAS Registry Number
22514-58-5
0 references
PubChem CID
45789628
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ICKXPLAJDFRFME-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL381600
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ICKXPLAJDFRFME-UHFFFAOYSA-N
UniChem compound ID
23972595
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30671909
1 reference
matched by identifier from
InChIKey
InChIKey
ICKXPLAJDFRFME-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30622658
0 references
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