hydroxy-2,5,6-trichloro-1,3-dicyanobenzene (Q120401394)

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chemical compound

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Language	Label	Description	Also known as
English	hydroxy-2,5,6-trichloro-1,3-dicyanobenzene	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

2,4,5-trichloro-6-hydroxyisophthalonitrile.svg
512 × 411; 8 KB

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chemical formula

C₈HCl₃N₂O

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based on heuristic

inferred from SMILES

canonical SMILES

N#Cc1c(O)c(Cl)c(Cl)c(C#N)c1Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H

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InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

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based on heuristic

inferred from InChI

CAS Registry Number

28343-61-5

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PubChem CID

34217

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matched by identifier from

InChIKey

InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

ChEBI ID

133542

mapping relation type

exact match

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matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H

SureChEMBL ID

SCHEMBL8886111

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

DSSTox substance ID

DTXSID90182586

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matched by identifier from

InChIKey

InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0240624

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matched by identifier from

InChIKey

InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

UNII

IQJ3P52AEE

1 reference

matched by identifier from

InChIKey

InChIKey

MDQKYGOECVSPIW-UHFFFAOYSA-N

 

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