thallium(3+) ion tris(nitrooxidane)

• ChemBase ID: 129834
• Molecular Formular: N3O9Tl
• Molecular Mass: 390.398
• Monoisotopic Mass: 390.9378806
• SMILES: [Tl+3].O=[N+]([O-])[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Tl+3]
• InChI: InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3
• InChIKey: KLBIUKJOZFWCLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thallium(3+) ion tris(nitrooxidane)
• IUPAC Traditional name: thallium(3+) ion trinitronate
• Synonyms: Thallium(III) nitrate

Database IDs

• PubChem SID: 162224120
• PubChem CID: 159690
• Chemspider ID: 140409
• Wikipedia Title: Thallium(III)_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

PROPERTIES

Physical Property

• Solubility: decomp. in water
• Apperance: colorless solid
• Melting Point: 103°C (217°F)
• Boiling Point: decomp.