iron(2+) ion tris(5-nitro-1,10-phenanthroline) diperchlorate

• ChemBase ID: 107644
• Molecular Formular: C36H21Cl2FeN9O14
• Molecular Mass: 930.35484
• Monoisotopic Mass: 928.99343926
• SMILES: [Fe+2].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1cc2c(nccc2)c2c1cccn2.[O-][N+](=O)c1cc2c(nccc2)c2c1cccn2.[O-][N+](=O)c1cc2c(nccc2)c2c1cccn2
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1cc2cccnc2c2c1cccn2.[O-][N+](=O)c1cc2cccnc2c2c1cccn2.[O-][N+](=O)c1cc2cccnc2c2c1cccn2.[Fe+2]
• InChI: InChI=1S/3C12H7N3O2.2ClHO4.Fe/c3*16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;2*2-1(3,4)5;/h3*1-7H;2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: LIMQGDXKAXYQOJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(2+) ion tris(5-nitro-1,10-phenanthroline) diperchlorate
• IUPAC Traditional name: iron ion(2+) tris(1,10-phenanthroline, 5-nitro-) diperchlorate ion
• Synonyms: 5-NITRO-1,10-PHENANTHROLINE FERROUS PERCHLORATE

Database IDs

• CAS Number: 15389-73-8
• EC Number: 231-096-4
• PubChem SID: 162093742
• PubChem CID: 84890

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.228372
• LogD (pH = 7.4): 2.2285373
• Log P: 2.2285392
• Molar Refractivity: 61.2253 cm^3
• Polarizability: 25.447826 Å^3
• Polar Surface Area: 71.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Grade: USP

DETAILS

MP Biomedicals - 05204434

MP Biomedicals Rare Chemical collection