7-bromo-5-fluoroquinoxaline

• ChemBase ID: 97816
• Molecular Formular: C8H4BrFN2
• Molecular Mass: 227.0331632
• Monoisotopic Mass: 225.95418836
• SMILES: n1ccnc2cc(cc(c12)F)Br
• Canonical SMILES: Brc1cc(F)c2c(c1)nccn2
• InChI: InChI=1S/C8H4BrFN2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h1-4H
• InChIKey: MWNUJVQOZMVOAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-5-fluoroquinoxaline
• IUPAC Traditional name: 7-bromo-5-fluoroquinoxaline
• Synonyms: 7-Bromo-5-fluoro-1,4-benzodiazine; 7-Bromo-5-fluoroquinoxaline

Database IDs

• PubChem SID: 162105096
• PubChem CID: 59286334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.210529
• LogD (pH = 7.4): 2.210533
• Log P: 2.210533
• Molar Refractivity: 45.2896 cm^3
• Polarizability: 18.563725 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Corrosive/Light Sensitive