4-Chloroimidazo[1,2-a]quinoxaline - ≥98% , CAS No.191349-69-6

CAS: 191349-69-6 Cat. No.: C736095 Molecular Weight: 203.63 PubChem CID: 10774525

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

• ALogP: 3.1

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)N=C(C3=NC=CN23)Cl
• IUPAC Name: 4-chloroimidazo[1,2-a]quinoxaline
• InChIKey: RYNAIJUDTQWFSL-UHFFFAOYSA-N
• INCHI: 1S/C10H6ClN3/c11-9-10-12-5-6-14(10)8-4-2-1-3-7(8)13-9/h1-6H
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(C3=NC=CN23)Cl
• PubChem CID: 10774525
• Molecular Weight: 203.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Imidazopyrazines Pyrazines N-substituted imidazoles Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Imidazopyrazine - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrazine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 203.630 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 203.025 Da
• Monoisotopic Mass: 203.025 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1