ethyl 2-(4-chlorophenyl)acetate

• ChemBase ID: 69594
• Molecular Formular: C10H11ClO2
• Molecular Mass: 198.64614
• Monoisotopic Mass: 198.04475727
• SMILES: C(=O)(Cc1ccc(cc1)Cl)OCC
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
• InChIKey: UTWBWFXECVFDPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-chlorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-chlorophenyl)acetate
• Synonyms: Ethyl 4-chlorophenylacetate

Database IDs

• CAS Number: 14062-24-9
• MDL Number: MFCD00018791
• PubChem SID: 162035320
• PubChem CID: 84177

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7177408
• LogD (pH = 7.4): 2.7177408
• Log P: 2.7177408
• Molar Refractivity: 51.6881 cm^3
• Polarizability: 20.330652 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%