2-fluorophenyl acetate

• ChemBase ID: 97547
• Molecular Formular: C8H7FO2
• Molecular Mass: 154.1383832
• Monoisotopic Mass: 154.04300768
• SMILES: O(c1ccccc1F)C(=O)C
• Canonical SMILES: CC(=O)Oc1ccccc1F
• InChI: InChI=1S/C8H7FO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
• InChIKey: PUNIIEHHUHGISF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorophenyl acetate
• IUPAC Traditional name: 2-fluorophenyl acetate
• Synonyms: 1-Acetoxy-2-fluorobenzene; 2-Fluorophenyl acetate 98%

Database IDs

• CAS Number: 29650-44-0
• MDL Number: MFCD00672912
• PubChem SID: 162084154
• PubChem CID: 141495

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7232088
• LogD (pH = 7.4): 1.7232088
• Log P: 1.7232088
• Molar Refractivity: 37.4068 cm^3
• Polarizability: 14.469902 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.478

Safety Information

• Storage Warning: Toxic