4-bromo-8-methoxy-2-methylquinoline

• ChemBase ID: 293722
• Molecular Formular: C11H10BrNO
• Molecular Mass: 252.1072
• Monoisotopic Mass: 250.99457595
• SMILES: COc1cccc2c1nc(C)cc2Br
• Canonical SMILES: COc1cccc2c1nc(C)cc2Br
• InChI: InChI=1S/C11H10BrNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
• InChIKey: WFHDYUWDRVMASE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-8-methoxy-2-methylquinoline
• IUPAC Traditional name: 4-bromo-8-methoxy-2-methylquinoline
• Synonyms: 4-Bromo-8-methoxy-2-methylquinoline

Database IDs

• CAS Number: 927800-62-2
• MDL Number: MFCD07700255
• PubChem SID: 180679253
• PubChem CID: 17750596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.873029
• LogD (pH = 7.4): 2.873348
• Log P: 2.873352
• Molar Refractivity: 58.6568 cm^3
• Polarizability: 23.917988 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%