4-bromo-6-chloro-8-methylquinoline

• ChemBase ID: 807603
• Molecular Formular: C10H7BrClN
• Molecular Mass: 256.52628
• Monoisotopic Mass: 254.94503891
• SMILES: c1c(c2c(cc1Cl)c(ccn2)Br)C
• Canonical SMILES: Clc1cc(C)c2c(c1)c(Br)ccn2
• InChI: InChI=1S/C10H7BrClN/c1-6-4-7(12)5-8-9(11)2-3-13-10(6)8/h2-5H,1H3
• InChIKey: YREAKKJLXOJDOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-chloro-8-methylquinoline
• IUPAC Traditional name: 4-bromo-6-chloro-8-methylquinoline
• Synonyms: 4-BROMO-6-CHLORO-8-METHYLQUINOLINE

Database IDs

• CAS Number: 927800-42-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0166693
• LogD (pH = 7.4): 4.0171137
• Log P: 4.017119
• Molar Refractivity: 57.4481 cm^3
• Polarizability: 23.290386 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%