2-[(3-fluorophenyl)methoxy]benzoyl chloride

• ChemBase ID: 56906
• Molecular Formular: C14H10ClFO2
• Molecular Mass: 264.6794032
• Monoisotopic Mass: 264.03533546
• SMILES: c1cc(c(cc1)OCc1cc(ccc1)F)C(=O)Cl
• Canonical SMILES: Fc1cccc(c1)COc1ccccc1C(=O)Cl
• InChI: InChI=1S/C14H10ClFO2/c15-14(17)12-6-1-2-7-13(12)18-9-10-4-3-5-11(16)8-10/h1-8H,9H2
• InChIKey: PIUMOIIPLSBTSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-fluorophenyl)methoxy]benzoyl chloride
• IUPAC Traditional name: 2-[(3-fluorophenyl)methoxy]benzoyl chloride
• Synonyms: 2-[(3-Fluorobenzyl)oxy]benzoyl chloride

Database IDs

• MDL Number: MFCD12197957
• PubChem SID: 162061669
• PubChem CID: 46779707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8736622
• LogD (pH = 7.4): 3.8736622
• Log P: 3.8736622
• Molar Refractivity: 68.4649 cm^3
• Polarizability: 25.872288 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false