2-chloro-3-methoxyquinoxaline

• ChemBase ID: 70746
• Molecular Formular: C9H7ClN2O
• Molecular Mass: 194.61768
• Monoisotopic Mass: 194.02469053
• SMILES: n1c(c(nc2ccccc12)OC)Cl
• Canonical SMILES: COc1nc2ccccc2nc1Cl
• InChI: InChI=1S/C9H7ClN2O/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3
• InChIKey: TTXKLKHPMYZIAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-methoxyquinoxaline
• IUPAC Traditional name: 2-chloro-3-methoxyquinoxaline
• Synonyms: 2-Chloro-3-methoxyquinoxaline

Database IDs

• CAS Number: 32998-25-7
• MDL Number: MFCD07367979
• PubChem SID: 162036459
• PubChem CID: 20227409

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5600865
• LogD (pH = 7.4): 2.5600865
• Log P: 2.5600865
• Molar Refractivity: 50.0932 cm^3
• Polarizability: 20.534256 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%