2,3-dichloro-6-methoxyquinoxaline

• ChemBase ID: 75262
• Molecular Formular: C9H6Cl2N2O
• Molecular Mass: 229.06274
• Monoisotopic Mass: 227.98571818
• SMILES: n1c(c(nc2cc(ccc12)OC)Cl)Cl
• Canonical SMILES: COc1ccc2c(c1)nc(c(n2)Cl)Cl
• InChI: InChI=1S/C9H6Cl2N2O/c1-14-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3
• InChIKey: NFJQDGNCJJPQNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-methoxyquinoxaline
• IUPAC Traditional name: 2,3-dichloro-6-methoxyquinoxaline
• Synonyms: 2,3-Dichloro-6-methoxyquinoxaline

Database IDs

• CAS Number: 39267-04-4
• MDL Number: MFCD00461063
• PubChem SID: 162040180
• PubChem CID: 684227

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7898507
• LogD (pH = 7.4): 2.7898507
• Log P: 2.7898507
• Molar Refractivity: 55.6458 cm^3
• Polarizability: 22.499964 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%