methyl 3-chloro-7-methoxyquinoxaline-2-carboxylate

• ChemBase ID: 802269
• Molecular Formular: C11H9ClN2O3
• Molecular Mass: 252.65376
• Monoisotopic Mass: 252.03016984
• SMILES: c1(cc2c(cc1)nc(c(n2)C(=O)OC)Cl)OC
• Canonical SMILES: COc1ccc2c(c1)nc(c(n2)Cl)C(=O)OC
• InChI: InChI=1S/C11H9ClN2O3/c1-16-6-3-4-7-8(5-6)13-9(10(12)14-7)11(15)17-2/h3-5H,1-2H3
• InChIKey: HAKARKXODXILSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-chloro-7-methoxyquinoxaline-2-carboxylate
• IUPAC Traditional name: methyl 3-chloro-7-methoxyquinoxaline-2-carboxylate
• Synonyms: METHYL 3-CHLORO-7-METHOXYQUINOXALINE-2-CARBOXYLATE

Database IDs

• CAS Number: 59956-08-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.154956
• LogD (pH = 7.4): 2.1549563
• Log P: 2.1549563
• Molar Refractivity: 61.433 cm^3
• Polarizability: 24.992922 Å^3
• Polar Surface Area: 61.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%