9H-fluorene-2-sulfonyl chloride

• ChemBase ID: 114521
• Molecular Formular: C13H9ClO2S
• Molecular Mass: 264.72736
• Monoisotopic Mass: 264.00117821
• SMILES: S(=O)(=O)(c1cc2c(c3c(C2)cccc3)cc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C13H9ClO2S/c14-17(15,16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
• InChIKey: OOCRPNTZVSMEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-2-sulfonyl chloride
• IUPAC Traditional name: 9H-fluorene-2-sulfonyl chloride
• Synonyms: 9H-fluorene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD01027049
• PubChem SID: 162099538
• PubChem CID: 224097

CALCULATED PROPERTIES

• Acid pKa: 16.004976
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6853225
• LogD (pH = 7.4): 3.6853225
• Log P: 3.6853225
• Molar Refractivity: 69.0676 cm^3
• Polarizability: 28.313103 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Partition Coefficient: 4.129
• Hydrophobicity(logP): 2.103

Product Information

• Purity: 95%