bis(trifluoromethanesulfonyloxy)cerio trifluoromethanesulfonate

• ChemBase ID: 97297
• Molecular Formular: C3CeF9O9S3
• Molecular Mass: 587.3233288
• Monoisotopic Mass: 586.76151156
• SMILES: [Ce](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)O[Ce](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(F)F
• InChI: InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: PHSMPGGNMIPKTH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(trifluoromethanesulfonyloxy)cerio trifluoromethanesulfonate
• IUPAC Traditional name: bis(trifluoromethanesulfonyloxy)cerio trifluoromethanesulfonate
• Synonyms: Cerium(III) trifluoromethanesulphonate 99%

Database IDs

• CAS Number: 76089-77-5
• MDL Number: MFCD02093899
• PubChem SID: 162083908
• PubChem CID: 10952045

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.1582
• LogD (pH = 7.4): 5.1582
• Log P: 5.1582
• Molar Refractivity: 47.3025 cm^3
• Polarizability: 28.444916 Å^3
• Polar Surface Area: 130.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Irritant