boron(3+) ion tris(nitrooxidane)

• ChemBase ID: 126213
• Molecular Formular: BH3N3O9
• Molecular Mass: 199.84952
• Monoisotopic Mass: 199.99623409
• SMILES: [BH3+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[BH3+3]
• InChI: InChI=1S/B.3NO3/c;3*2-1(3)4/q+3;3*-1
• InChIKey: XWROSHJVVFETLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: boron(3+) ion tris(nitrooxidane)
• IUPAC Traditional name: boron(3+) ion trinitronate
• Synonyms: Boron nitrate

Database IDs

• CAS Number: 71816-39-2
• Chemspider ID: 25934735
• Wikipedia Title: Boron_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true