5-(3,5-dichlorophenoxy)furan-2-carbonyl chloride

• ChemBase ID: 76025
• Molecular Formular: C11H5Cl3O3
• Molecular Mass: 291.5146
• Monoisotopic Mass: 289.93042706
• SMILES: o1c(ccc1C(=O)Cl)Oc1cc(cc(c1)Cl)Cl
• Canonical SMILES: Clc1cc(cc(c1)Cl)Oc1ccc(o1)C(=O)Cl
• InChI: InChI=1S/C11H5Cl3O3/c12-6-3-7(13)5-8(4-6)16-10-2-1-9(17-10)11(14)15/h1-5H
• InChIKey: YLENOTQUCQGWGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,5-dichlorophenoxy)furan-2-carbonyl chloride
• IUPAC Traditional name: 5-(3,5-dichlorophenoxy)furan-2-carbonyl chloride
• Synonyms: 5-(3,5-Dichlorophenoxy)furan-2-carbonyl chloride; 5-(3,5-Dichlorophenoxy)-2-furoyl chloride

Database IDs

• CAS Number: 175277-07-3
• MDL Number: MFCD00173779
• PubChem SID: 162040943
• PubChem CID: 2736028

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.022073
• LogD (pH = 7.4): 4.022073
• Log P: 4.022073
• Molar Refractivity: 64.6673 cm^3
• Polarizability: 25.230846 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive