8-ethoxy-5-nitroquinoline

• ChemBase ID: 290223
• Molecular Formular: C11H10N2O3
• Molecular Mass: 218.2087
• Monoisotopic Mass: 218.06914219
• SMILES: O=[N+](c1c2cccnc2c(OCC)cc1)[O-]
• Canonical SMILES: CCOc1ccc(c2c1nccc2)[N+](=O)[O-]
• InChI: InChI=1S/C11H10N2O3/c1-2-16-10-6-5-9(13(14)15)8-4-3-7-12-11(8)10/h3-7H,2H2,1H3
• InChIKey: JIKDSYNTJROGHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethoxy-5-nitroquinoline
• IUPAC Traditional name: 8-ethoxy-5-nitroquinoline
• Synonyms: 8-Ethoxy-5-nitroquinoline

Database IDs

• CAS Number: 19746-57-7
• PubChem SID: 180675754
• PubChem CID: 9429849

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2700202
• LogD (pH = 7.4): 2.2700214
• Log P: 2.2700214
• Molar Refractivity: 57.5116 cm^3
• Polarizability: 23.169285 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%