potassium [2-(4-bromophenyl)ethenyl]trifluoroboranuide

• ChemBase ID: 96925
• Molecular Formular: C8H6BBrF3K
• Molecular Mass: 288.9417496
• Monoisotopic Mass: 287.93350893
• SMILES: [B-](F)(F)(F)/C=C/c1ccc(cc1)Br.[K+]
• Canonical SMILES: F[B-](/C=C/c1ccc(cc1)Br)(F)F.[K+]
• InChI: InChI=1S/C8H6BBrF3.K/c10-8-3-1-7(2-4-8)5-6-9(11,12)13;/h1-6H;/q-1;+1
• InChIKey: BEXVPUJMYULVAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium [2-(4-bromophenyl)ethenyl]trifluoroboranuide
• IUPAC Traditional name: potassium ion [2-(4-bromophenyl)ethenyl]trifluoroboranuide
• Synonyms: Potassium 2-(4-bromophenyl)vinyltrifluoroborate 97%

Database IDs

• MDL Number: MFCD09039073
• PubChem SID: 162083569
• PubChem CID: 25053621

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6669
• LogD (pH = 7.4): 3.6669
• Log P: 3.6669
• Molar Refractivity: 47.3775 cm^3
• Polarizability: 18.365314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true