2-(2-fluorophenyl)-1,3-oxazole

• ChemBase ID: 291382
• Molecular Formular: C9H6FNO
• Molecular Mass: 163.1484432
• Monoisotopic Mass: 163.04334204
• SMILES: Fc1ccccc1c1ncco1
• Canonical SMILES: Fc1ccccc1c1ncco1
• InChI: InChI=1S/C9H6FNO/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H
• InChIKey: DFBWEIMTNJWBCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)-1,3-oxazole
• IUPAC Traditional name: 2-(2-fluorophenyl)-1,3-oxazole
• Synonyms: 2-(2-Fluorophenyl)oxazole

Database IDs

• CAS Number: 178672-06-5
• MDL Number: MFCD15143568
• PubChem SID: 180676913
• PubChem CID: 10607086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0826075
• LogD (pH = 7.4): 2.0826094
• Log P: 2.0826094
• Molar Refractivity: 52.0854 cm^3
• Polarizability: 16.25487 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%