4,5-dichloro-8-methylquinoline

• ChemBase ID: 291422
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: Cc1c2nccc(Cl)c2c(Cl)cc1
• Canonical SMILES: Cc1ccc(c2c1nccc2Cl)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-5H,1H3
• InChIKey: IYXRCWLZIIBTGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloro-8-methylquinoline
• IUPAC Traditional name: 4,5-dichloro-8-methylquinoline
• Synonyms: 4,5-Dichloro-8-methylquinoline

Database IDs

• CAS Number: 948292-29-3
• MDL Number: MFCD09787694
• PubChem SID: 180676953
• PubChem CID: 17039831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8515856
• LogD (pH = 7.4): 3.8524008
• Log P: 3.8524113
• Molar Refractivity: 54.6301 cm^3
• Polarizability: 22.454304 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%