3,5-difluoro-4-methoxybenzoyl chloride

• ChemBase ID: 98969
• Molecular Formular: C8H5ClF2O2
• Molecular Mass: 206.5739064
• Monoisotopic Mass: 205.99461352
• SMILES: ClC(=O)c1cc(c(c(c1)F)OC)F
• Canonical SMILES: COc1c(F)cc(cc1F)C(=O)Cl
• InChI: InChI=1S/C8H5ClF2O2/c1-13-7-5(10)2-4(8(9)12)3-6(7)11/h2-3H,1H3
• InChIKey: KQZUCQYQLNPECC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-4-methoxybenzoyl chloride
• IUPAC Traditional name: 3,5-difluoro-4-methoxybenzoyl chloride
• Synonyms: 4-(Chlorocarbonyl)-2,6-difluoroanisole; 3,5-Difluoro-4-methoxybenzoyl chloride 99%

Database IDs

• MDL Number: MFCD04115913
• PubChem SID: 162085281
• PubChem CID: 17750662

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.2918909
• Log P: 2.2918909
• Molar Refractivity: 44.0687 cm^3
• Polarizability: 16.248951 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2918909

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Store under Argon