(9H-carbazol-3-yl)boronic acid

• ChemBase ID: 812816
• Molecular Formular: C12H10BNO2
• Molecular Mass: 211.0243
• Monoisotopic Mass: 211.08045897
• SMILES: B(O)(O)c1ccc2[nH]c3c(cccc3)c2c1
• Canonical SMILES: OB(c1ccc2c(c1)c1ccccc1[nH]2)O
• InChI: InChI=1S/C12H10BNO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14-16H
• InChIKey: WGUUKVJNVYAFFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-carbazol-3-yl)boronic acid
• IUPAC Traditional name: 9H-carbazol-3-ylboronic acid
• Synonyms: 9H-CARBAZOL-3YLBORONIC ACID

Database IDs

• CAS Number: 851524-97-5

CALCULATED PROPERTIES

• Acid pKa: 8.724972
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.8355427
• LogD (pH = 7.4): 2.8158278
• Log P: 2.8358
• Molar Refractivity: 58.0177 cm^3
• Polarizability: 26.364552 Å^3
• Polar Surface Area: 56.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%