6-Cyanoindole

CAT: 0024-sc-217334Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-217334Size:250 mg

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CAS Number

15861-36-6

Chemical Information

1H-indole-6-carbonitrile

CAS Number	15861-36-6
PubChem CID	85146
IUPAC Name	1H-indole-6-carbonitrile
Molecular Formula	C9H6N2
Molecular Weight	142.16
XLogP	2.4
Topological Polar Surface Area	39.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	191

SMILES

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

InChI

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

InChIKey

SZSZDBFJCQKTRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15861-36-6

CID: 85146

Formula: C9H6N2

MW: 142.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	142.053098200
Monoisotopic Mass	142.053098200
Topological Polar Surface Area	39.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TYD-00531-01	6-Cyanoindole
408999-01	1-BOC-6-cyanoindole
234676-01	6-Cyanoindole 98+% (HPLC)
438052-01	6-Bromo-3-cyanoindole
455226-01	Methyl 3-cyanoindole-6-carboxylate
425274-01	3-Cyanoindole
267540-01	7-Cyanoindole
TYD-00582-01	4-Cyanoindole
TXB-00007-01	5-Cyanoindole