[4-(9H-carbazol-9-yl)phenyl]boronic acid

• ChemBase ID: 288889
• Molecular Formular: C18H14BNO2
• Molecular Mass: 287.12026
• Monoisotopic Mass: 287.11175909
• SMILES: OB(c1ccc(n2c3c(c4c2cccc4)cccc3)cc1)O
• Canonical SMILES: OB(c1ccc(cc1)n1c2ccccc2c2c1cccc2)O
• InChI: InChI=1S/C18H14BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,21-22H
• InChIKey: JGAVTCVHDMOQTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(9H-carbazol-9-yl)phenyl]boronic acid
• IUPAC Traditional name: 4-(carbazol-9-yl)phenylboronic acid
• Synonyms: (4-(9H-Carbazol-9-yl)phenyl)boronic acid

Database IDs

• CAS Number: 419536-33-7
• MDL Number: MFCD13176534
• PubChem SID: 180674420
• PubChem CID: 23120827

CALCULATED PROPERTIES

• Acid pKa: 9.033663
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.344074
• LogD (pH = 7.4): 4.3342743
• Log P: 4.3442
• Molar Refractivity: 93.0113 cm^3
• Polarizability: 36.74681 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%