(9H-fluoren-9-yl)boronic acid

• ChemBase ID: 812441
• Molecular Formular: C13H11BO2
• Molecular Mass: 210.03624
• Monoisotopic Mass: 210.08520999
• SMILES: B(O)(O)C1c2ccccc2c2ccccc12
• Canonical SMILES: OB(C1c2ccccc2c2c1cccc2)O
• InChI: InChI=1S/C13H11BO2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,15-16H
• InChIKey: GIEXEZYHXJTMJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)boronic acid
• IUPAC Traditional name: 9H-fluoren-9-ylboronic acid
• Synonyms: FLUORENE-9-BORONIC ACID

Database IDs

• CAS Number: 100374-79-6

CALCULATED PROPERTIES

• Acid pKa: 8.708006
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1448326
• LogD (pH = 7.4): 3.1243567
• Log P: 3.1451
• Molar Refractivity: 58.8825 cm^3
• Polarizability: 25.688663 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%