2-chloro-7-fluoroquinoline-6-sulfonyl chloride

• ChemBase ID: 284159
• Molecular Formular: C9H4Cl2FNO2S
• Molecular Mass: 280.1029632
• Monoisotopic Mass: 278.93238295
• SMILES: S(=O)(=O)(c1c(cc2nc(ccc2c1)Cl)F)Cl
• Canonical SMILES: Clc1ccc2c(n1)cc(c(c2)S(=O)(=O)Cl)F
• InChI: InChI=1S/C9H4Cl2FNO2S/c10-9-2-1-5-3-8(16(11,14)15)6(12)4-7(5)13-9/h1-4H
• InChIKey: APJDEAYWUZDGSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-fluoroquinoline-6-sulfonyl chloride
• IUPAC Traditional name: 2-chloro-7-fluoroquinoline-6-sulfonyl chloride
• Synonyms: 2-chloro-7-fluoroquinoline-6-sulfonyl chloride

Database IDs

• MDL Number: MFCD11858140
• PubChem SID: 180669690
• PubChem CID: 43810838

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0441267
• LogD (pH = 7.4): 3.0441272
• Log P: 3.0441272
• Molar Refractivity: 60.256 cm^3
• Polarizability: 24.701403 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 1.019

Product Information

• Purity: 95%