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

• ChemBase ID: 108973
• Molecular Formular: C39H30Cl2FeN6O8
• Molecular Mass: 837.4419
• Monoisotopic Mass: 836.08515481
• SMILES: [Fe+2].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.Cc1cc2c(nccc2)c2c1cccn2.Cc1cc2c(nccc2)c2c1cccn2.Cc1cc2c(nccc2)c2c1cccn2
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.Cc1cc2cccnc2c2c1cccn2.Cc1cc2cccnc2c2c1cccn2.Cc1cc2cccnc2c2c1cccn2.[Fe+2]
• InChI: InChI=1S/3C13H10N2.2ClHO4.Fe/c3*1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;2*2-1(3,4)5;/h3*2-8H,1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: YPKANHHSFAEKSD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 15526-61-1
• PubChem SID: 162094480
• PubChem CID: 84970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6950147
• LogD (pH = 7.4): 2.800432
• Log P: 2.8019764
• Molar Refractivity: 58.9418 cm^3
• Polarizability: 25.53318 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Grade: USP

DETAILS

MP Biomedicals - 05209403

MP Biomedicals Rare Chemical collection