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(Q82398841)
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2-Chloro-7-nitrothianthrene
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
294.952848112
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₆ClNO₂S₂
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canonical SMILES
C1=CC2=C(C=C1[N+](=O)[O-])SC3=C(S2)C=C(C=C3)Cl
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Identifiers
InChI
InChI=1S/C12H6ClNO2S2/c13-7-1-3-9-11(5-7)17-10-4-2-8(14(15)16)6-12(10)18-9/h1-6H
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InChIKey
ROEQWZJFXMARFW-UHFFFAOYSA-N
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CAS Registry Number
89880-55-7
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PubChem CID
13215774
1 reference
matched by identifier from
InChIKey
InChIKey
ROEQWZJFXMARFW-UHFFFAOYSA-N
UniChem compound ID
61260933
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40528879
1 reference
matched by identifier from
InChIKey
InChIKey
ROEQWZJFXMARFW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30479684
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