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5-Cyanoindole

CAT: 0063-17057160-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0063-17057160-5gSize:5 g
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CAS Number
15861-24-2
Molecular Formula
C9H6N2
Molecular Weight
142.16
Formulation
C9H6N2

Chemical Information

Indole-5-carbonitrile
CAS Number15861-24-2
PubChem CID27513
IUPAC Name1H-indole-5-carbonitrile
Molecular FormulaC9H6N2
Molecular Weight142.16
XLogP2.4
Topological Polar Surface Area39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity191
SMILES
C1=CC2=C(C=CN2)C=C1C#N
InChI
InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
InChIKey
YHYLDEVWYOFIJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole-5-carbonitrile
CAS: 15861-24-2
CID: 27513
Formula: C9H6N2
MW: 142.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.16
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass142.053098200
Monoisotopic Mass142.053098200
Topological Polar Surface Area39.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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