2-chloro-7-methoxyquinoxaline

• ChemBase ID: 289458
• Molecular Formular: C9H7ClN2O
• Molecular Mass: 194.61768
• Monoisotopic Mass: 194.02469053
• SMILES: COc1ccc2ncc(Cl)nc2c1
• Canonical SMILES: COc1cc2nc(Cl)cnc2cc1
• InChI: InChI=1S/C9H7ClN2O/c1-13-6-2-3-7-8(4-6)12-9(10)5-11-7/h2-5H,1H3
• InChIKey: WJDJKCAURKUNNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-methoxyquinoxaline
• IUPAC Traditional name: 2-chloro-7-methoxyquinoxaline
• Synonyms: 2-Chloro-7-methoxyquinoxaline

Database IDs

• CAS Number: 55686-93-6
• MDL Number: MFCD11846475
• PubChem SID: 180674989
• PubChem CID: 12686415

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9656215
• LogD (pH = 7.4): 1.9656289
• Log P: 1.965629
• Molar Refractivity: 49.7797 cm^3
• Polarizability: 20.508308 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%