7-Cyanoindole

C9H6N2CAS 96631-87-7142.16 g/mol

NHN
Nitrile

Properties

Molecular formula
C9H6N2
Molar mass
142.16 g/mol
Exact mass
142.0531 Da
logP
2.04Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
96631-87-7
SMILES
C1=CC2=C(C(=C1)C#N)NC=C2
InChIKey
NTUHBYLZRBVHRS-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 1H-Indole-7-carbonitrile

Work with 7-Cyanoindole

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere