3-bromo-4-chloroquinoline

• ChemBase ID: 308535
• Molecular Formular: C9H5BrClN
• Molecular Mass: 242.4997
• Monoisotopic Mass: 240.92938885
• SMILES: c1(c2c(ncc1Br)cccc2)Cl
• Canonical SMILES: Brc1cnc2c(c1Cl)cccc2
• InChI: InChI=1S/C9H5BrClN/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
• InChIKey: WRRLTIGYGHAAOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-chloroquinoline
• IUPAC Traditional name: 3-bromo-4-chloroquinoline
• Synonyms: 3-bromo-4-chloroquinoline

Database IDs

• CAS Number: 74575-17-0
• MDL Number: MFCD05738886

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5035946
• LogD (pH = 7.4): 3.5036964
• Log P: 3.5036979
• Molar Refractivity: 52.4069 cm^3
• Polarizability: 21.566498 Å^3
• Polar Surface Area: 12.89 Å^2