8-(2-bromoethoxy)quinoline hydrobromide

• ChemBase ID: 277103
• Molecular Formular: C11H11Br2NO
• Molecular Mass: 333.01914
• Monoisotopic Mass: 330.92073798
• SMILES: c12ncccc2cccc1OCCBr.Br
• Canonical SMILES: BrCCOc1cccc2c1nccc2.Br
• InChI: InChI=1S/C11H10BrNO.BrH/c12-6-8-14-10-5-1-3-9-4-2-7-13-11(9)10;/h1-5,7H,6,8H2;1H
• InChIKey: BWZIOANFDLQQSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-bromoethoxy)quinoline hydrobromide
• IUPAC Traditional name: 8-(2-bromoethoxy)quinoline hydrobromide
• Synonyms: 8-(2-bromoethoxy)quinoline hydrobromide

Database IDs

• MDL Number: MFCD19686321
• PubChem SID: 164333013
• PubChem CID: 54594492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.822251
• LogD (pH = 7.4): 2.8232021
• Log P: 2.8232143
• Molar Refractivity: 58.7693 cm^3
• Polarizability: 23.894217 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): 3.056

Product Information

• Purity: 95%