oxo(phenyl)borane

• ChemBase ID: 111723
• Molecular Formular: C6H6BO
• Molecular Mass: 104.92224
• Monoisotopic Mass: 105.05117021
• SMILES: O=[BH]c1ccccc1
• Canonical SMILES: O=[BH]c1ccccc1
• InChI: InChI=1S/C6H5BO/c8-7-6-4-2-1-3-5-6/h1-5H
• InChIKey: GQQNLYRKZFBFEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo(phenyl)borane
• IUPAC Traditional name: oxo(phenyl)borane
• Synonyms: PHENYLBORIC ANHYDRIDE

Database IDs

• PubChem SID: 162106583
• PubChem CID: 14510100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3508
• LogD (pH = 7.4): 2.3508
• Log P: 2.3508
• Molar Refractivity: 26.9172 cm^3
• Polarizability: 12.140248 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220565

MP Biomedicals Rare Chemical collection