2-(2,4-difluorophenoxy)propanoyl chloride

• ChemBase ID: 56678
• Molecular Formular: C9H7ClF2O2
• Molecular Mass: 220.6004864
• Monoisotopic Mass: 220.01026358
• SMILES: O(c1c(cc(cc1)F)F)C(C(=O)Cl)C
• Canonical SMILES: ClC(=O)C(Oc1ccc(cc1F)F)C
• InChI: InChI=1S/C9H7ClF2O2/c1-5(9(10)13)14-8-3-2-6(11)4-7(8)12/h2-5H,1H3
• InChIKey: DMWZHJCKBWUVSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)propanoyl chloride
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)propanoyl chloride
• Synonyms: 2-(2,4-Difluorophenoxy)propanoyl chloride

Database IDs

• MDL Number: MFCD12197815
• PubChem SID: 162061441
• PubChem CID: 46779565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6810555
• LogD (pH = 7.4): 2.6810555
• Log P: 2.6810555
• Molar Refractivity: 47.391 cm^3
• Polarizability: 18.067772 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false