6-bromo-7-chloro-8-methylquinoline

• ChemBase ID: 291393
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: Cc1c2ncccc2cc(Br)c1Cl
• Canonical SMILES: Brc1cc2cccnc2c(c1Cl)C
• InChI: InChI=1S/C10H7BrClN/c1-6-9(12)8(11)5-7-3-2-4-13-10(6)7/h2-5H,1H3
• InChIKey: QWMCRDQMAVQABM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-7-chloro-8-methylquinoline
• IUPAC Traditional name: 6-bromo-7-chloro-8-methylquinoline
• Synonyms: 6-Bromo-7-chloro-8-methylquinoline

Database IDs

• CAS Number: 1033202-16-2
• MDL Number: MFCD10699677
• PubChem SID: 180676924
• PubChem CID: 46738870

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.016015
• LogD (pH = 7.4): 4.017105
• Log P: 4.017119
• Molar Refractivity: 57.4481 cm^3
• Polarizability: 23.30615 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%