8-bromoquinoline hydrochloride

• ChemBase ID: 293231
• Molecular Formular: C9H7BrClN
• Molecular Mass: 244.51558
• Monoisotopic Mass: 242.94503891
• SMILES: Brc1c2ncccc2ccc1.Cl
• Canonical SMILES: Brc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C9H6BrN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H;1H
• InChIKey: PWBLKYOKAULBMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromoquinoline hydrochloride
• IUPAC Traditional name: 8-bromoquinoline hydrochloride
• Synonyms: 8-Bromoquinoline hydrochloride

Database IDs

• CAS Number: 1081803-09-9
• MDL Number: MFCD08062292
• PubChem SID: 180678762
• PubChem CID: 45789472

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8976088
• LogD (pH = 7.4): 2.8996272
• Log P: 2.8996532
• Molar Refractivity: 47.6021 cm^3
• Polarizability: 19.618155 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%