8-(1-bromoethyl)quinoline

• ChemBase ID: 258841
• Molecular Formular: C11H10BrN
• Molecular Mass: 236.1078
• Monoisotopic Mass: 234.99966133
• SMILES: c1(c2ncccc2ccc1)C(Br)C
• Canonical SMILES: CC(c1cccc2c1nccc2)Br
• InChI: InChI=1S/C11H10BrN/c1-8(12)10-6-2-4-9-5-3-7-13-11(9)10/h2-8H,1H3
• InChIKey: GINONTIZGMCESK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-bromoethyl)quinoline
• IUPAC Traditional name: 8-(1-bromoethyl)quinoline
• Synonyms: 8-(1-bromoethyl)quinoline

Database IDs

• MDL Number: MFCD09050453
• PubChem SID: 164314751
• PubChem CID: 12644813

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3026333
• LogD (pH = 7.4): 3.3199866
• Log P: 3.3202128
• Molar Refractivity: 57.2485 cm^3
• Polarizability: 23.182066 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.34

Product Information

• Purity: 95%