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(Q120401394)
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English
hydroxy-2,5,6-trichloro-1,3-dicyanobenzene
chemical compound
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Statements
instance of
type of chemical entity
0 references
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
1 reference
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
0 references
InChIKey
MDQKYGOECVSPIW-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
28343-61-5
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PubChem CID
34217
1 reference
matched by identifier from
InChIKey
InChIKey
MDQKYGOECVSPIW-UHFFFAOYSA-N
ChEBI ID
133542
mapping relation type
exact match
1 reference
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
1 reference
matched by identifier from
InChIKey
InChIKey
MDQKYGOECVSPIW-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0240624
1 reference
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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