9H-fluorene-9-sulfonyl chloride

• ChemBase ID: 286222
• Molecular Formular: C13H9ClO2S
• Molecular Mass: 264.72736
• Monoisotopic Mass: 264.00117821
• SMILES: S(=O)(=O)(C1c2c(c3c1cccc3)cccc2)Cl
• Canonical SMILES: ClS(=O)(=O)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H9ClO2S/c14-17(15,16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
• InChIKey: USFBRRNXUMSLSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-9-sulfonyl chloride
• IUPAC Traditional name: 9H-fluorene-9-sulfonyl chloride
• Synonyms: 9H-fluorene-9-sulfonyl chloride

Database IDs

• MDL Number: MFCD09866377
• PubChem SID: 180671753
• PubChem CID: 300319

CALCULATED PROPERTIES

• Acid pKa: 19.32912
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.292094
• LogD (pH = 7.4): 3.292094
• Log P: 3.292094
• Molar Refractivity: 68.3244 cm^3
• Polarizability: 28.42524 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 1.769

Product Information

• Purity: 95%