ethyl 2-(3-chlorophenyl)acetate

• ChemBase ID: 277907
• Molecular Formular: C10H11ClO2
• Molecular Mass: 198.64614
• Monoisotopic Mass: 198.04475727
• SMILES: C(=O)(Cc1cc(Cl)ccc1)OCC
• Canonical SMILES: CCOC(=O)Cc1cccc(c1)Cl
• InChI: InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
• InChIKey: SLNHJHHDMDGTGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-chlorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(3-chlorophenyl)acetate
• Synonyms: ethyl 2-(3-chlorophenyl)acetate

Database IDs

• MDL Number: MFCD07787498
• PubChem SID: 164333817
• PubChem CID: 8063366

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: 20.331154 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.062

Product Information

• Purity: 95%