2,8-dichloroquinoline-3-carbaldehyde

• ChemBase ID: 287793
• Molecular Formular: C10H5Cl2NO
• Molecular Mass: 226.0588
• Monoisotopic Mass: 224.97481915
• SMILES: O=Cc1cc2cccc(Cl)c2nc1Cl
• Canonical SMILES: O=Cc1cc2cccc(c2nc1Cl)Cl
• InChI: InChI=1S/C10H5Cl2NO/c11-8-3-1-2-6-4-7(5-14)10(12)13-9(6)8/h1-5H
• InChIKey: LPMXEZKNTOGEMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dichloroquinoline-3-carbaldehyde
• IUPAC Traditional name: 2,8-dichloroquinoline-3-carbaldehyde
• Synonyms: 2,8-Dichloroquinoline-3-carbaldehyde

Database IDs

• CAS Number: 144918-96-7
• MDL Number: MFCD06202349
• PubChem SID: 180673324
• PubChem CID: 14917125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2716694
• LogD (pH = 7.4): 3.2716694
• Log P: 3.2716694
• Molar Refractivity: 57.2342 cm^3
• Polarizability: 22.673058 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%