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6-Cyanoquinoxaline

CAT: 0127-OR959535-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR959535-01Size:100 mg
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CAS Number
23088-24-6
MDL Number
MFCD08669502
Purity
98%
Smiles
N#Cc1ccc2nccnc2c1

Chemical Information

Quinoxaline-6-carbonitrile
CAS Number23088-24-6
PubChem CID23273535
IUPAC Namequinoxaline-6-carbonitrile
Molecular FormulaC9H5N3
Molecular Weight155.16
XLogP1
Topological Polar Surface Area49.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity205
SMILES
C1=CC2=NC=CN=C2C=C1C#N
InChI
InChI=1S/C9H5N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H
InChIKey
IFIJAECRUMYOAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoxaline-6-carbonitrile
CAS: 23088-24-6
CID: 23273535
Formula: C9H5N3
MW: 155.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.16
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.048347172
Monoisotopic Mass155.048347172
Topological Polar Surface Area49.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity205
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