9H-fluorene-2,7-disulfonyl dichloride

• ChemBase ID: 79960
• Molecular Formular: C13H8Cl2O4S2
• Molecular Mass: 363.23622
• Monoisotopic Mass: 361.9241061
• SMILES: S(=O)(=O)(c1ccc2c(c1)Cc1c2ccc(c1)S(=O)(=O)Cl)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc2c(c1)Cc1c2ccc(c1)S(=O)(=O)Cl
• InChI: InChI=1S/C13H8Cl2O4S2/c14-20(16,17)10-1-3-12-8(6-10)5-9-7-11(21(15,18)19)2-4-13(9)12/h1-4,6-7H,5H2
• InChIKey: WILHVYLMKZJHOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-2,7-disulfonyl dichloride
• IUPAC Traditional name: 9H-fluorene-2,7-disulfonyl dichloride
• Synonyms: 9H-fluorene-2,7-disulphonyl dichloride

Database IDs

• CAS Number: 1835-76-3
• MDL Number: MFCD00218831
• PubChem SID: 162044723
• PubChem CID: 2775664

CALCULATED PROPERTIES

• Acid pKa: 14.221816
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6316254
• LogD (pH = 7.4): 3.6316254
• Log P: 3.6316254
• Molar Refractivity: 83.2618 cm^3
• Polarizability: 34.41699 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true