2,3-dibromo-6,7-dichloroquinoxaline

• ChemBase ID: 796069
• Molecular Formular: C8H2Br2Cl2N2
• Molecular Mass: 356.82888
• Monoisotopic Mass: 353.79617743
• SMILES: c1(cc2c(cc1Cl)nc(c(n2)Br)Br)Cl
• Canonical SMILES: Clc1cc2nc(Br)c(nc2cc1Cl)Br
• InChI: InChI=1S/C8H2Br2Cl2N2/c9-7-8(10)14-6-2-4(12)3(11)1-5(6)13-7/h1-2H
• InChIKey: OWBJCMPWZNHXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-6,7-dichloroquinoxaline
• IUPAC Traditional name: 2,3-dibromo-6,7-dichloroquinoxaline
• Synonyms: Quinoxaline, 2,3-dibromo-6,7-dichloro-; 2,3-dibromo-6,7-dichloroquinoxaline

Database IDs

• CAS Number: 239095-84-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.455717
• LogD (pH = 7.4): 4.455717
• Log P: 4.455717
• Molar Refractivity: 63.99 cm^3
• Polarizability: 25.888914 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%