2-bromo-5,6,7,8-tetrahydroquinoline

• ChemBase ID: 309487
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: n1c2c(ccc1Br)CCCC2
• Canonical SMILES: Brc1ccc2c(n1)CCCC2
• InChI: InChI=1S/C9H10BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
• InChIKey: GJKJABMIDAWWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: 2-bromo-5,6,7,8-tetrahydroquinoline
• Synonyms: 2-bromo-5,6,7,8-tetrahydroquinoline

Database IDs

• CAS Number: 71308-91-3
• MDL Number: MFCD11848715

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.0560138
• Log P: 3.056018
• Molar Refractivity: 49.4245 cm^3
• Polarizability: 18.73735 Å^3
• Polar Surface Area: 12.89 Å^2
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.055674