2-chloro-6,7-dimethoxyquinoxaline

• ChemBase ID: 275242
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: n1c2cc(c(cc2ncc1Cl)OC)OC
• Canonical SMILES: COc1cc2nc(Cl)cnc2cc1OC
• InChI: InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)13-10(11)5-12-6/h3-5H,1-2H3
• InChIKey: KJGOYBHXJBMXIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6,7-dimethoxyquinoxaline
• IUPAC Traditional name: 2-chloro-6,7-dimethoxyquinoxaline
• Synonyms: 2-chloro-6,7-dimethoxyquinoxaline

Database IDs

• CAS Number: 216699-86-4
• MDL Number: MFCD09836153
• PubChem SID: 164331152
• PubChem CID: 22573137

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8079373
• LogD (pH = 7.4): 1.8079574
• Log P: 1.8079576
• Molar Refractivity: 56.2429 cm^3
• Polarizability: 23.032248 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.424

Product Information

• Purity: 95%; 95+%; 98%