4,7-dichloro-8-methylquinoline

• ChemBase ID: 813204
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c1(c(c2c(cc1)c(ccn2)Cl)C)Cl
• Canonical SMILES: Clc1ccc2c(c1C)nccc2Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-5H,1H3
• InChIKey: RQZPQJSDRNYOBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-8-methylquinoline
• IUPAC Traditional name: 4,7-dichloro-8-methylquinoline
• Synonyms: 4,7-DICHLORO-8-METHYLQUINOLINE

Database IDs

• CAS Number: 643039-79-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.851854
• LogD (pH = 7.4): 3.852404
• Log P: 3.8524113
• Molar Refractivity: 54.6301 cm^3
• Polarizability: 22.441732 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%