phenyl(trifluoromethyl)mercury

• ChemBase ID: 252525
• Molecular Formular: C7H5F3Hg
• Molecular Mass: 346.6998096
• Monoisotopic Mass: 348.00497782
• SMILES: C([Hg]c1ccccc1)(F)(F)F
• Canonical SMILES: FC([Hg]c1ccccc1)(F)F
• InChI: InChI=1S/C6H5.CF3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H
• InChIKey: BTVXEPISDXWGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(trifluoromethyl)mercury
• IUPAC Traditional name: phenyl(trifluoromethyl)mercury
• Synonyms: phenyl(trifluoromethyl)mercury

Database IDs

• MDL Number: MFCD00192682
• PubChem SID: 164308435
• PubChem CID: 429021

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.268
• LogD (pH = 7.4): 3.268
• Log P: 3.268
• Molar Refractivity: 31.25 cm^3
• Polarizability: 19.267641 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.27

Product Information

• Purity: 95%