zirconium(4+) ion tetrakis(nitrooxidane)

• ChemBase ID: 108885
• Molecular Formular: N4O12Zr
• Molecular Mass: 339.2436
• Monoisotopic Mass: 337.85597546
• SMILES: [Zr+4].[O-][N+](=O)[O-].[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-].[O-][N+](=O)[O-].[Zr+4]
• InChI: InChI=1S/4NO3.Zr/c4*2-1(3)4;/q4*-1;+4
• InChIKey: OERNJTNJEZOPIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion tetrakis(nitrooxidane)
• IUPAC Traditional name: zirconium(4+) ion tetranitronate
• Synonyms: Zirconium Oxynitrate; Zirconium Nitrate Oxide, Zirconium Nitrate Hydroxide; Zirconyl Nitrate; Zirconium; ZIRCONIUM NITRATE (ZIRCONYL)

Database IDs

• CAS Number: 12372-57-5
• EC Number: 237-324-9
• PubChem SID: 162094917
• PubChem CID: 26251

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

Safety Information

• RTECS: ZH8750000
• European Hazard Symbols: Oxidising (O)
• Risk Statements: R:8-42/43
• Safety Statements: S:16-17-26-28