6-bromo-4-chloro-2,8-dimethylquinoline

• ChemBase ID: 88739
• Molecular Formular: C11H9BrClN
• Molecular Mass: 270.55286
• Monoisotopic Mass: 268.96068897
• SMILES: n1c(cc(c2cc(cc(c12)C)Br)Cl)C
• Canonical SMILES: Brc1cc(C)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C11H9BrClN/c1-6-3-8(12)5-9-10(13)4-7(2)14-11(6)9/h3-5H,1-2H3
• InChIKey: YJTIVPXNBMXIJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-2,8-dimethylquinoline
• Synonyms: 6-Bromo-4-chloro-2,8-dimethylquinoline

Database IDs

• CAS Number: 1153002-90-4
• MDL Number: MFCD12114952
• PubChem SID: 162075651
• PubChem CID: 43668460

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.146468
• LogD (pH = 7.4): 4.1484637
• Log P: 4.1484895
• Molar Refractivity: 62.0396 cm^3
• Polarizability: 25.050282 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 4.709

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon

Product Information

• Purity: 95%