4,7-dichloro-8-fluoroquinoline

• ChemBase ID: 269718
• Molecular Formular: C9H4Cl2FN
• Molecular Mass: 216.0391632
• Monoisotopic Mass: 214.97048271
• SMILES: c12c(c(ccc1c(ccn2)Cl)Cl)F
• Canonical SMILES: Clc1ccc2c(c1F)nccc2Cl
• InChI: InChI=1S/C9H4Cl2FN/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H
• InChIKey: WTJODNMPMHKCLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-8-fluoroquinoline
• IUPAC Traditional name: 4,7-dichloro-8-fluoroquinoline
• Synonyms: 4,7-dichloro-8-fluoroquinoline

Database IDs

• MDL Number: MFCD09861350
• PubChem SID: 164325628
• PubChem CID: 43531974

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4816892
• LogD (pH = 7.4): 3.4816918
• Log P: 3.4816918
• Molar Refractivity: 49.8053 cm^3
• Polarizability: 20.404358 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 3.712

Product Information

• Purity: 95%