6,7-dichloroquinoxaline-2,3-diol

• ChemBase ID: 75267
• Molecular Formular: C8H4Cl2N2O2
• Molecular Mass: 231.03556
• Monoisotopic Mass: 229.96498274
• SMILES: n1c(c(nc2cc(c(cc12)Cl)Cl)O)O
• Canonical SMILES: Clc1cc2nc(O)c(nc2cc1Cl)O
• InChI: InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
• InChIKey: AVBSIKMUAFYZAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloroquinoxaline-2,3-diol
• IUPAC Traditional name: 6,7-dichloroquinoxaline-2,3-diol
• Synonyms: 2,3-Dihydroxy-6,7-dichloroquinoxaline

Database IDs

• CAS Number: 25983-13-5
• MDL Number: MFCD04038943
• PubChem SID: 162040185
• PubChem CID: 1845

CALCULATED PROPERTIES

• Acid pKa: 11.077329
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.088951
• LogD (pH = 7.4): 3.0888622
• Log P: 3.088952
• Molar Refractivity: 51.6488 cm^3
• Polarizability: 21.1221 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true