2-(4-fluorophenoxy)acetyl chloride

• ChemBase ID: 18238
• Molecular Formular: C8H6ClFO2
• Molecular Mass: 188.5834432
• Monoisotopic Mass: 188.00403533
• SMILES: C(=O)(COc1ccc(F)cc1)Cl
• Canonical SMILES: ClC(=O)COc1ccc(cc1)F
• InChI: InChI=1S/C8H6ClFO2/c9-8(11)5-12-7-3-1-6(10)2-4-7/h1-4H,5H2
• InChIKey: VNOMNADZORCTGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxy)acetyl chloride
• IUPAC Traditional name: 2-(4-fluorophenoxy)acetyl chloride
• Synonyms: (4-Fluoro-phenoxy)-acetyl chloride; (4-fluorophenoxy)acetyl chloride

Database IDs

• MDL Number: MFCD02295749
• PubChem SID: 160981545
• PubChem CID: 2759057

CALCULATED PROPERTIES

• Log P: 1.9695895
• Molar Refractivity: 42.6807 cm^3
• Polarizability: 16.42389 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9695895
• LogD (pH = 7.4): 1.9695895

PROPERTIES

Physical Property

• Partition Coefficient: 2.42

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%