2,5-dichloroquinoxaline

• ChemBase ID: 289890
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: Clc1nc2c(nc1)c(Cl)ccc2
• Canonical SMILES: Clc1cnc2c(n1)cccc2Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-5-2-1-3-6-8(5)11-4-7(10)12-6/h1-4H
• InChIKey: UMVYPMIZWHTLFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloroquinoxaline
• IUPAC Traditional name: 2,5-dichloroquinoxaline
• Synonyms: 2,5-Dichloroquinoxaline

Database IDs

• CAS Number: 55687-05-3
• MDL Number: MFCD11846477
• PubChem SID: 180675421
• PubChem CID: 10679487

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7273448
• LogD (pH = 7.4): 2.727345
• Log P: 2.727345
• Molar Refractivity: 48.1213 cm^3
• Polarizability: 19.892164 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%