2,8-dichloroquinoxaline

• ChemBase ID: 67623
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: n1c(cnc2cccc(c12)Cl)Cl
• Canonical SMILES: Clc1cnc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C8H4Cl2N2/c9-5-2-1-3-6-8(5)12-7(10)4-11-6/h1-4H
• InChIKey: OSJZMZFNSNCFCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dichloroquinoxaline
• IUPAC Traditional name: 2,8-dichloroquinoxaline
• Synonyms: 2,8-Dichloroquinoxaline

Database IDs

• CAS Number: 120258-69-7
• MDL Number: MFCD11846471
• PubChem SID: 162033358
• PubChem CID: 10608050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7273436
• LogD (pH = 7.4): 2.727345
• Log P: 2.727345
• Molar Refractivity: 48.1213 cm^3
• Polarizability: 19.890406 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+%