(Q82229735)

English

MLS002704001

chemical compound

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Statements

type of chemical entity

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chemical compound

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307.97554741199997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₃H₆Cl₂N₂O₃

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canonical SMILES

O=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1cc(Cl)c(Cl)cc1-2

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based on heuristic

inferred from InChI

isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])/C(=N/O)/C3=CC(=C(C=C23)Cl)Cl

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Identifiers

InChI=1S/C13H6Cl2N2O3/c14-11-4-8-7-2-1-6(17(19)20)3-9(7)13(16-18)10(8)5-12(11)15/h1-5,18H/b16-13-

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RYQFXINIVCENDT-SSZFMOIBSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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