2,8-dibromoquinoline

• ChemBase ID: 291844
• Molecular Formular: C9H5Br2N
• Molecular Mass: 286.9507
• Monoisotopic Mass: 284.87887317
• SMILES: Brc1nc2c(cccc2Br)cc1
• Canonical SMILES: Brc1ccc2c(n1)c(Br)ccc2
• InChI: InChI=1S/C9H5Br2N/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
• InChIKey: DPABNLZUYUAAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dibromoquinoline
• IUPAC Traditional name: 2,8-dibromoquinoline
• Synonyms: 2,8-Dibromoquinoline

Database IDs

• CAS Number: 871507-79-8
• MDL Number: MFCD09788633
• PubChem SID: 180677375
• PubChem CID: 45925951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.873927
• LogD (pH = 7.4): 3.8739278
• Log P: 3.8739278
• Molar Refractivity: 56.0671 cm^3
• Polarizability: 22.597013 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%