6-bromo-2-chloroquinoxaline

• ChemBase ID: 67742
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: n1c(cnc2cc(ccc12)Br)Cl
• Canonical SMILES: Brc1ccc2c(c1)ncc(n2)Cl
• InChI: InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H
• InChIKey: XDJDRCGDVKTDHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloroquinoxaline
• IUPAC Traditional name: 6-bromo-2-chloroquinoxaline
• Synonyms: 6-Bromo-2-chloroquinoxaline

Database IDs

• CAS Number: 55687-02-0
• MDL Number: MFCD09260998
• PubChem SID: 162033477
• PubChem CID: 12686408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.892052
• LogD (pH = 7.4): 2.892053
• Log P: 2.892053
• Molar Refractivity: 50.9393 cm^3
• Polarizability: 20.783314 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%