2,7-dichloroquinoxaline

• ChemBase ID: 293624
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: Clc1ccc2ncc(Cl)nc2c1
• Canonical SMILES: Clc1ccc2c(c1)nc(cn2)Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H
• InChIKey: YNASAKVGUCRNEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichloroquinoxaline
• IUPAC Traditional name: 2,7-dichloroquinoxaline
• Synonyms: 2,7-Dichloroquinoxaline; 2,7-Dichloro-quinoxaline

Database IDs

• CAS Number: 59489-31-5
• PubChem SID: 180679155
• PubChem CID: 2758223

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7273443
• LogD (pH = 7.4): 2.727345
• Log P: 2.727345
• Molar Refractivity: 48.1213 cm^3
• Polarizability: 19.865082 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%