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(Q82972256)
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English
S-(4-Bromophenyl) 4-nitrobenzene-1-carbothioate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
336.9408262159999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₈BrNO₃S
0 references
canonical SMILES
C1=CC(=CC=C1C(=O)SC2=CC=C(C=C2)Br)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C13H8BrNO3S/c14-10-3-7-12(8-4-10)19-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
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InChIKey
GQEJBOKWERNZLV-UHFFFAOYSA-N
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CAS Registry Number
6631-85-2
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PubChem CID
245714
1 reference
matched by identifier from
InChIKey
InChIKey
GQEJBOKWERNZLV-UHFFFAOYSA-N
UniChem compound ID
33256275
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10984887
1 reference
matched by identifier from
InChIKey
InChIKey
GQEJBOKWERNZLV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID501412093
0 references
NSC number
57939
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