7-bromo-8-methylquinoline

• ChemBase ID: 90502
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: n1cccc2ccc(c(c12)C)Br
• Canonical SMILES: Brc1ccc2c(c1C)nccc2
• InChI: InChI=1S/C10H8BrN/c1-7-9(11)5-4-8-3-2-6-12-10(7)8/h2-6H,1H3
• InChIKey: MLTSRPXEANUCKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-8-methylquinoline
• IUPAC Traditional name: 7-bromo-8-methylquinoline
• Synonyms: 7-Bromo-8-methyl-1-azanaphthalene; 7-Bromo-8-methylquinoline 95+%; 7-Bromo-8-methylquinoline

Database IDs

• CAS Number: 809248-61-1
• MDL Number: MFCD09907849
• PubChem SID: 162077300
• PubChem CID: 45097742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4045796
• LogD (pH = 7.4): 3.4129665
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.37027 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon

Product Information

• Purity: 95+%