2-(3-chlorophenoxy)acetamide

• ChemBase ID: 86637
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: O=C(COc1cccc(c1)Cl)N
• Canonical SMILES: NC(=O)COc1cccc(c1)Cl
• InChI: InChI=1S/C8H8ClNO2/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: AQKKPJWLYFXFHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenoxy)acetamide
• IUPAC Traditional name: 2-(3-chlorophenoxy)acetamide
• Synonyms: 2-(3-chlorophenoxy)acetamide

Database IDs

• CAS Number: 35368-69-5
• MDL Number: MFCD00173818
• PubChem SID: 162073753
• PubChem CID: 2745969

CALCULATED PROPERTIES

• Acid pKa: 14.352491
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.09066
• LogD (pH = 7.4): 1.09066
• Log P: 1.09066
• Molar Refractivity: 45.2328 cm^3
• Polarizability: 17.812542 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%