6-bromoquinoxaline-2,3-diol

• ChemBase ID: 310596
• Molecular Formular: C8H5BrN2O2
• Molecular Mass: 241.0415
• Monoisotopic Mass: 239.95343941
• SMILES: n1c(c(nc2c1cc(cc2)Br)O)O
• Canonical SMILES: Brc1ccc2c(c1)nc(c(n2)O)O
• InChI: InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
• InChIKey: KCEGUPPDVPWCCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoquinoxaline-2,3-diol
• IUPAC Traditional name: 6-bromoquinoxaline-2,3-diol
• Synonyms: 6-bromo-2,3-quinoxalinediol

Database IDs

• CAS Number: 1910-90-3
• MDL Number: MFCD00457865

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6496143
• LogD (pH = 7.4): 2.6495342
• Log P: 2.6496155
• Molar Refractivity: 49.662 cm^3
• Polarizability: 20.118284 Å^3
• Polar Surface Area: 66.24 Å^2