methyl 4,8-dichloroquinoline-2-carboxylate

• ChemBase ID: 291496
• Molecular Formular: C11H7Cl2NO2
• Molecular Mass: 256.08478
• Monoisotopic Mass: 254.98538383
• SMILES: O=C(c1nc2c(Cl)cccc2c(Cl)c1)OC
• Canonical SMILES: COC(=O)c1cc(Cl)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C11H7Cl2NO2/c1-16-11(15)9-5-8(13)6-3-2-4-7(12)10(6)14-9/h2-5H,1H3
• InChIKey: NWTKQPIRZXAPEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4,8-dichloroquinoline-2-carboxylate
• IUPAC Traditional name: methyl 4,8-dichloroquinoline-2-carboxylate
• Synonyms: Methyl 4,8-dichloroquinoline-2-carboxylate

Database IDs

• CAS Number: 1020101-15-8
• MDL Number: MFCD11855883
• PubChem SID: 180677027
• PubChem CID: 46739215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.528317
• LogD (pH = 7.4): 3.5283172
• Log P: 3.5283172
• Molar Refractivity: 61.2422 cm^3
• Polarizability: 25.163036 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%