7,8-dichloroquinoline

• ChemBase ID: 291424
• Molecular Formular: C9H5Cl2N
• Molecular Mass: 198.0487
• Monoisotopic Mass: 196.97990453
• SMILES: Clc1c2ncccc2ccc1Cl
• Canonical SMILES: Clc1ccc2c(c1Cl)nccc2
• InChI: InChI=1S/C9H5Cl2N/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H
• InChIKey: BQNIWGUGRICGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dichloroquinoline
• IUPAC Traditional name: 7,8-dichloroquinoline
• Synonyms: 7,8-Dichloroquinoline

Database IDs

• CAS Number: 703-49-1
• MDL Number: MFCD12026044
• PubChem SID: 180676955
• PubChem CID: 19987583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3387492
• LogD (pH = 7.4): 3.3389869
• Log P: 3.3389897
• Molar Refractivity: 49.5889 cm^3
• Polarizability: 20.721611 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%