(9H-fluoren-2-yl)boronic acid

• ChemBase ID: 143033
• Molecular Formular: C13H11BO2
• Molecular Mass: 210.03624
• Monoisotopic Mass: 210.08520999
• SMILES: B(c1ccc2c(c1)Cc1c2cccc1)(O)O
• Canonical SMILES: OB(c1ccc2c(c1)Cc1c2cccc1)O
• InChI: InChI=1S/C13H11BO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,15-16H,7H2
• InChIKey: OHGJAUSHXQCSQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-2-yl)boronic acid
• IUPAC Traditional name: 9H-fluoren-2-ylboronic acid
• Synonyms: 9H-Fluoren-2-yl-boronic acid; Fluorene-2-boronic acid; FLUORENE-2-BORONIC ACID; 芴-2-硼酸

Database IDs

• CAS Number: 480424-61-1
• MDL Number: MFCD05664106
• PubChem SID: 162237257
• PubChem CID: 21988878

CALCULATED PROPERTIES

• Acid pKa: 8.75935
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3580623
• LogD (pH = 7.4): 3.3398166
• Log P: 3.3583
• Molar Refractivity: 59.4189 cm^3
• Polarizability: 25.59091 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125-129 °C

Product Information

• Purity: 98%
• Linear Formula: C13H9B(OH)2

DETAILS

Sigma Aldrich - 709905

General description
可能含有不定量的酸酐
包装
1 g in glass bottle