4-Cyanoindole

CAT: 0024-sc-205119Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-205119Size:500 mg

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CAS Number

16136-52-0

Chemical Information

4-Cyanoindole

CAS Number	16136-52-0
PubChem CID	3817602
IUPAC Name	1H-indole-4-carbonitrile
Molecular Formula	C9H6N2
Molecular Weight	142.16
XLogP	2.5
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(=C2C=CNC2=C1)C#N

InChI

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

InChIKey

CEUFGDDOMXCXFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16136-52-0

CID: 3817602

Formula: C9H6N2

MW: 142.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	2.5
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-00582-01	4-Cyanoindole
430969-01	4-Bromo-3-cyanoindole
233115-01	4-Cyanoindole 98+% (HPLC)
424291-01	3-Bromo-4-cyanoindole
422825-01	3- (4-Chlorobutyl) -7-cyanoindole
457194-01	N- (4-Chlorobutyryl) -5-cyanoindole
425274-01	3-Cyanoindole
267540-01	7-Cyanoindole
TYD-00531-01	6-Cyanoindole
TXB-00007-01	5-Cyanoindole