chromium(3+) ion tritrifluoroacetate

• ChemBase ID: 94624
• Molecular Formular: C6CrF9O6
• Molecular Mass: 391.0423288
• Monoisotopic Mass: 390.8956242
• SMILES: [O-]C(=O)C(F)(F)F.[Cr+3].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Cr+3]
• InChI: InChI=1S/3C2HF3O2.Cr/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
• InChIKey: WMQWGIITGJKGNO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion tritrifluoroacetate
• IUPAC Traditional name: chromium(3+) tritrifluoroacetate
• Synonyms: Chromium(III) trifluoroacetate 97%

Database IDs

• CAS Number: 16712-29-1
• MDL Number: MFCD00069078
• PubChem SID: 162081278
• PubChem CID: 2736720

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 24.491 cm^3
• Polarizability: 5.106112 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant