(Q72458367)

English

6-Cyanoindole

chemical compound

1H-Indole-6-carbonitrile

In more languages

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

142.053098192 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉H₆N₂

0 references

canonical SMILES

C1=CC(=CC2=C1C=CN2)C#N

0 references

melting point

130.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H

0 references

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

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CAS Registry Number

15861-36-6

1 reference

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=15861-36-6

PubChem CID

85146

1 reference

matched by identifier from

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL507312

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0088969

0 references

EC number

239-988-5

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ECHA Substance Infocard ID

100.036.338

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.036.338

retrieved

29 December 2019

title

1H-indole-6-carbonitrile (English)

quotation

CAS no.: 15861-36-6 (English)

UNII

JTV63MA4Q6

1 reference

matched by identifier from

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

PDB ligand ID

F9Y

0 references

(Q72458367)

6-Cyanoindole

Statements

Identifiers

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