fluorotrioxochromiumuide; pyridin-1-ium

• ChemBase ID: 93390
• Molecular Formular: C5H6CrFNO3
• Molecular Mass: 199.1005432
• Monoisotopic Mass: 198.97367878
• SMILES: [nH+]1ccccc1.[Cr-](=O)(=O)(=O)F
• Canonical SMILES: c1ccc[nH+]c1.F[Cr-](=O)(=O)=O
• InChI: InChI=1S/C5H5N.Cr.FH.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;;1H
• InChIKey: CILFSGMCMJNHGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorotrioxochromiumuide; pyridin-1-ium
• IUPAC Traditional name: fluorotrioxochromiumuide; pyridium
• Synonyms: Pyridinium fluorochromate

Database IDs

• CAS Number: 83042-08-4
• MDL Number: MFCD00151617
• PubChem SID: 162080075
• PubChem CID: 10954551

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 25.1598 cm^3
• Polarizability: 9.677758 Å^3
• Polar Surface Area: 14.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant