6-Bromo-2-hydroxyquinoxaline - ≥95% , CAS No.55687-34-8

CAS: 55687-34-8 Cat. No.: B185198 Formule: C₈H₅BrN₂O Poids moléculaire: 225 Numéro CE: 852-714-4

GRADE & PURITY ≥95%

Synonyms

AKOS015904195 | BDBWPIXISLYKEG-UHFFFAOYSA-N | FS-2888 | 6-bromo-quinoxalin-2-ol | 6-bromoquinoxalin-2-ol | 4YO | 7-bromo-3-oxo-3,4-dihydroquinoxaline | 6-bromoquinoxalin-2-one | 6-bromo-1H-quinoxalin-2-one | 2(1H)-Quinoxalinone, 6-bromo- | DTXSID20506872

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS015904195 | BDBWPIXISLYKEG-UHFFFAOYSA-N | FS-2888 | 6-bromo-quinoxalin-2-ol | 6-bromoquinoxalin-2-ol | 4YO | 7-bromo-3-oxo-3,4-dihydroquinoxaline | 6-bromoquinoxalin-2-one | 6-bromo-1H-quinoxalin-2-one | 2(1H)-Quinoxalinone, 6-bromo- | DTXSID20506872

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528762399

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762399

Sourires canoniques

C1=CC2=C(C=C1Br)N=CC(=O)N2

IUPAC Name

6-bromo-1H-quinoxalin-2-one

InChIKey

BDBWPIXISLYKEG-UHFFFAOYSA-N

INCHI

1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)

Isomères SMILES

C1=CC2=C(C=C1Br)N=CC(=O)N2

Poids moléculaire

225

Reaxy-Rn

879936

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879936&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Benzenoids Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Aryl bromide - Aryl halide - Pyrazine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen 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

Propriétés chimiques et physiques

• Poids moléculaire: 225.040 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.959 Da
• Monoisotopic Mass: 223.959 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 229.000
• 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