2,3-dichloroquinoline

• ChemBase ID: 289653
• Molecular Formular: C9H5Cl2N
• Molecular Mass: 198.0487
• Monoisotopic Mass: 196.97990453
• SMILES: Clc1cc2ccccc2nc1Cl
• Canonical SMILES: Clc1cc2ccccc2nc1Cl
• InChI: InChI=1S/C9H5Cl2N/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
• InChIKey: KWVNKWCJDAWNAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 613-18-3
• PubChem SID: 180675184
• PubChem CID: 10987215

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.559167
• LogD (pH = 7.4): 3.559167
• Log P: 3.559167
• Molar Refractivity: 50.6502 cm^3
• Polarizability: 20.771904 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%