(9H-carbazol-1-yl)boronic acid

• ChemBase ID: 811331
• Molecular Formular: C12H10BNO2
• Molecular Mass: 211.0243
• Monoisotopic Mass: 211.08045897
• SMILES: B(O)(O)c1c2[nH]c3c(cccc3)c2ccc1
• Canonical SMILES: OB(c1cccc2c1[nH]c1c2cccc1)O
• InChI: InChI=1S/C12H10BNO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14-16H
• InChIKey: RIUUHLXAZCECMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-carbazol-1-yl)boronic acid
• IUPAC Traditional name: 9H-carbazol-1-ylboronic acid
• Synonyms: CARBAZOLE-1-BORONIC ACID

Database IDs

• CAS Number: 869642-36-4

CALCULATED PROPERTIES

• Acid pKa: 8.576888
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.8354383
• LogD (pH = 7.4): 2.8079667
• Log P: 2.8358
• Molar Refractivity: 58.0177 cm^3
• Polarizability: 26.36757 Å^3
• Polar Surface Area: 56.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%