5-bromo-7-chloroquinoxaline

• ChemBase ID: 291431
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: Clc1cc(Br)c2nccnc2c1
• Canonical SMILES: Clc1cc(Br)c2c(c1)nccn2
• InChI: InChI=1S/C8H4BrClN2/c9-6-3-5(10)4-7-8(6)12-2-1-11-7/h1-4H
• InChIKey: WSIPUDFECNDBJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-7-chloroquinoxaline
• IUPAC Traditional name: 5-bromo-7-chloroquinoxaline
• Synonyms: 5-Bromo-7-chloroquinoxaline

Database IDs

• CAS Number: 1215205-87-0
• MDL Number: MFCD15143560
• PubChem SID: 180676962
• PubChem CID: 53216859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.671874
• LogD (pH = 7.4): 2.6718757
• Log P: 2.6718757
• Molar Refractivity: 49.878 cm^3
• Polarizability: 20.72179 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%