6-bromo-2,3-dichloroquinoxaline

• ChemBase ID: 294522
• Molecular Formular: C8H3BrCl2N2
• Molecular Mass: 277.93282
• Monoisotopic Mass: 275.88566547
• SMILES: Clc1nc2cc(Br)ccc2nc1Cl
• Canonical SMILES: Brc1ccc2c(c1)nc(c(n2)Cl)Cl
• InChI: InChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H
• InChIKey: PSSGUHOTRLMJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dichloroquinoxaline
• IUPAC Traditional name: 6-bromo-2,3-dichloroquinoxaline
• Synonyms: 6-Bromo-2,3-dichloroquinoxaline

Database IDs

• CAS Number: 108229-82-9
• MDL Number: MFCD09842518
• PubChem SID: 180680053
• PubChem CID: 13799585

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7162747
• LogD (pH = 7.4): 3.7162747
• Log P: 3.7162747
• Molar Refractivity: 56.8054 cm^3
• Polarizability: 22.84361 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%