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(Q82203873)
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English
2(3H)-Benzothiazolone, 6-(4-bromobenzoyl)-
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
332.945911596
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₈BrNO₂S
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canonical SMILES
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)S3)Br
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Identifiers
InChI
InChI=1S/C14H8BrNO2S/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
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InChIKey
PELRSAOJKOMUES-UHFFFAOYSA-N
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CAS Registry Number
205587-00-4
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PubChem CID
4206561
1 reference
matched by identifier from
InChIKey
InChIKey
PELRSAOJKOMUES-UHFFFAOYSA-N
UniChem compound ID
44929239
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30400837
1 reference
matched by identifier from
InChIKey
InChIKey
PELRSAOJKOMUES-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70351692
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