potassium [(benzyloxy)methyl]trifluoroboranuide

• ChemBase ID: 98006
• Molecular Formular: C8H9BF3KO
• Molecular Mass: 228.0609696
• Monoisotopic Mass: 228.03356165
• SMILES: O(Cc1ccccc1)C[B-](F)(F)F.[K+]
• Canonical SMILES: F[B-](COCc1ccccc1)(F)F.[K+]
• InChI: InChI=1S/C8H9BF3O.K/c10-9(11,12)7-13-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1
• InChIKey: MVZQNVFTJPRHAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium [(benzyloxy)methyl]trifluoroboranuide
• IUPAC Traditional name: potassium ion [(benzyloxy)methyl]trifluoroboranuide
• Synonyms: Potassium [(benzyloxy)methyl]trifluoroborate

Database IDs

• CAS Number: 1027642-25-6
• PubChem SID: 162084479
• PubChem CID: 45588183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4637
• LogD (pH = 7.4): 2.4637
• Log P: 2.4637
• Molar Refractivity: 40.853 cm^3
• Polarizability: 16.260569 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant