2-(2-chlorophenoxy)acetamide

• ChemBase ID: 296034
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: c1ccc(c(c1)OCC(=O)N)Cl
• Canonical SMILES: NC(=O)COc1ccccc1Cl
• InChI: InChI=1S/C8H8ClNO2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: VFUNLXYSSCTXBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxy)acetamide
• IUPAC Traditional name: 2-(2-chlorophenoxy)acetamide
• Synonyms: 2-(2-Chlorophenoxy)acetamide; 2-(2-氯苯氧基)乙酰氨

Database IDs

• CAS Number: 35368-68-4
• EC Number: 252-530-9
• MDL Number: MFCD00173819
• PubChem SID: 180681565
• PubChem CID: 97329

CALCULATED PROPERTIES

• Acid pKa: 14.357133
• 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: 17.829525 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%