6-bromo-2-ethoxy-4-methylquinoline

• ChemBase ID: 291432
• Molecular Formular: C12H12BrNO
• Molecular Mass: 266.13378
• Monoisotopic Mass: 265.01022601
• SMILES: Cc1cc(OCC)nc2ccc(Br)cc12
• Canonical SMILES: CCOc1cc(C)c2c(n1)ccc(c2)Br
• InChI: InChI=1S/C12H12BrNO/c1-3-15-12-6-8(2)10-7-9(13)4-5-11(10)14-12/h4-7H,3H2,1-2H3
• InChIKey: RISONBQHKATDEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-ethoxy-4-methylquinoline
• IUPAC Traditional name: 6-bromo-2-ethoxy-4-methylquinoline
• Synonyms: 6-Bromo-2-ethoxy-4-methylquinoline

Database IDs

• CAS Number: 1187385-61-0
• MDL Number: MFCD12756431
• PubChem SID: 180676963
• PubChem CID: 46739384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.206402
• LogD (pH = 7.4): 4.2066655
• Log P: 4.206669
• Molar Refractivity: 64.1686 cm^3
• Polarizability: 25.742216 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%