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Compound Fr14040

CAT: 0931-Fr14040-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-Fr14040-02Size:1 g
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CAS Number
91-19-0
Purity
>99.99%
Bioactivity
Compound Fr14040, with CAS No. 91-19-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14040 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
C1=CC=C2N=CC=NC2=C1
Molecular Formula
C8H6N2
Molecular Weight
130.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Quinoxaline

Quinoxaline is a naphthyridine in which the nitrogens are at positions 1 and 4. It is a mancude organic heterobicyclic parent, a naphthyridine and an ortho-fused heteroarene.

CAS Number91-19-0
PubChem CID7045
IUPAC Namequinoxaline
Molecular FormulaC8H6N2
Molecular Weight130.15
XLogP1.3
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
C1=CC=C2C(=C1)N=CC=N2
InChI
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChIKey
XSCHRSMBECNVNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoxaline
CAS: 91-19-0
CID: 7045
Formula: C8H6N2
MW: 130.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.15
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass130.053098200
Monoisotopic Mass130.053098200
Topological Polar Surface Area25.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.8
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