6,7-dichloroquinoxaline

• ChemBase ID: 75264
• Molecular Formular: C8H4Cl2N2
• Molecular Mass: 199.03676
• Monoisotopic Mass: 197.9751535
• SMILES: n1ccnc2cc(c(cc12)Cl)Cl
• Canonical SMILES: Clc1cc2nccnc2cc1Cl
• InChI: InChI=1S/C8H4Cl2N2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h1-4H
• InChIKey: YAVWRUWYXLAQRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloroquinoxaline
• IUPAC Traditional name: 6,7-dichloroquinoxaline
• Synonyms: 6,7-Dichloroquinoxaline

Database IDs

• CAS Number: 19853-64-6
• MDL Number: MFCD00456885
• PubChem SID: 162040182
• PubChem CID: 639444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5071652
• LogD (pH = 7.4): 2.5071676
• Log P: 2.5071678
• Molar Refractivity: 47.06 cm^3
• Polarizability: 19.822538 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%