potassium 5-chloronaphthalene-2-sulfonate

• ChemBase ID: 164468
• Molecular Formular: C10H6ClKO3S
• Molecular Mass: 280.76914
• Monoisotopic Mass: 279.93632441
• SMILES: c1cc(c2c(c1)cc(cc2)S(=O)(=O)[O-])Cl.[K+]
• Canonical SMILES: Clc1cccc2c1ccc(c2)S(=O)(=O)[O-].[K+]
• InChI: InChI=1S/C10H7ClO3S.K/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10;/h1-6H,(H,12,13,14);/q;+1/p-1
• InChIKey: ISLSQNBMQRBRPH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 5-chloronaphthalene-2-sulfonate
• IUPAC Traditional name: potassium 5-chloronaphthalene-2-sulfonate
• Synonyms: 5-Chloro-2-naphthalenesulfonic Acid Potassium Salt; 5-Chloronaphthalene-2-sulfonic Acid, Potassium Salt

Database IDs

• CAS Number: 1024267-23-9
• PubChem SID: 162258603
• PubChem CID: 4525305

CALCULATED PROPERTIES

• Acid pKa: -2.320343
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.37127674
• LogD (pH = 7.4): 0.3712752
• Log P: 2.747674
• Molar Refractivity: 56.8138 cm^3
• Polarizability: 24.19454 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Grey Solid