potassium [(4-chlorophenyl)methyl]trifluoroboranuide

• ChemBase ID: 240878
• Molecular Formular: C7H6BClF3K
• Molecular Mass: 232.4800496
• Monoisotopic Mass: 231.98402461
• SMILES: [B-](Cc1ccc(Cl)cc1)(F)(F)F.[K+]
• Canonical SMILES: F[B-](Cc1ccc(cc1)Cl)(F)F.[K+]
• InChI: InChI=1S/C7H6BClF3.K/c9-7-3-1-6(2-4-7)5-8(10,11)12;/h1-4H,5H2;/q-1;+1
• InChIKey: GVWYOVZLNAJSGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium [(4-chlorophenyl)methyl]trifluoroboranuide
• IUPAC Traditional name: potassium [(4-chlorophenyl)methyl]trifluoroboranuide
• Synonyms: potassium [(4-chlorophenyl)methyl]trifluoroboranuide

Database IDs

• MDL Number: MFCD09993369
• PubChem SID: 164296788
• PubChem CID: 63703552

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 2.8034
• LogD (pH = 7.4): 2.8034
• Log P: 2.8034
• Molar Refractivity: 39.3704 cm^3
• Polarizability: 15.663761 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 2.041

Product Information

• Purity: 95%