2-(2-fluorophenoxy)acetyl chloride

• ChemBase ID: 56304
• Molecular Formular: C8H6ClFO2
• Molecular Mass: 188.5834432
• Monoisotopic Mass: 188.00403533
• SMILES: C(=O)(COc1c(F)cccc1)Cl
• Canonical SMILES: ClC(=O)COc1ccccc1F
• InChI: InChI=1S/C8H6ClFO2/c9-8(11)5-12-7-4-2-1-3-6(7)10/h1-4H,5H2
• InChIKey: XSLKRUIYILEVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)acetyl chloride
• IUPAC Traditional name: 2-(2-fluorophenoxy)acetyl chloride
• Synonyms: (2-Fluorophenoxy)acetyl chloride

Database IDs

• MDL Number: MFCD02295747
• PubChem SID: 162061067
• PubChem CID: 3126947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9695895
• LogD (pH = 7.4): 1.9695895
• Log P: 1.9695895
• Molar Refractivity: 42.6807 cm^3
• Polarizability: 16.42436 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.418

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%