ethyl 2-(4-chlorophenoxy)acetate

• ChemBase ID: 816238
• Molecular Formular: C10H11ClO3
• Molecular Mass: 214.64554
• Monoisotopic Mass: 214.03967189
• SMILES: C(C(=O)OCC)Oc1ccc(cc1)Cl
• Canonical SMILES: CCOC(=O)COc1ccc(cc1)Cl
• InChI: InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
• InChIKey: QULRDJFRGVHKLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-chlorophenoxy)acetate
• IUPAC Traditional name: ethyl 4-chlorophenoxyacetate
• Synonyms: (4-CHLOROPHENOXY) ACETIC ACID ETHYL ESTER

Database IDs

• CAS Number: 14426-42-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4003046
• LogD (pH = 7.4): 2.4003046
• Log P: 2.4003046
• Molar Refractivity: 52.9283 cm^3
• Polarizability: 21.038887 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%